小分子和化合物库

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IPSU,OX2拮抗剂
- ≥98%(HPLC)
CAS号 : 1373765-19-5 Compound CID : 56970858

分子式: C₂₃H₂₇N₅O₂ 分子量: 405.49

IUPAC Name: 2-(1H-indol-3-ylmethyl)-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one

SMILES: COC1=NC(=NC=C1)N2CCC3(CCCN(C3=O)CC4=CNC5=CC=CC=C54)CC2

InChIKey: PCMHOSYCWRRHTG-UHFFFAOYSA-N

InChI: InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3
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CGP 54626 盐酸盐
- ≥96%(HPLC)
CAS号 : 149184-21-4 Compound CID : 197583

分子式: C₁₈H₂₈Cl₂NO₃P•HCl 分子量: 444.76

IUPAC Name: cyclohexylmethyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochloride

SMILES: CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2CCCCC2)O)O.Cl

InChIKey: ZQCFHOVIXCJPLE-LINSIKMZSA-N

InChI: InChI=1S/C18H28Cl2NO3P.ClH/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14;/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24);1H/t13-,16-;/m0./s1
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SB408124
- ≥98%
CAS号 : 288150-92-5 Compound CID : 4331799

分子式: C₁₉H₁₈F₂N₄O 分子量: 356.37

IUPAC Name: 1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea

SMILES: CC1=CC(=C2C=C(C=C(C2=N1)F)F)NC(=O)NC3=CC=C(C=C3)N(C)C

InChIKey: JTARFZSNUAGHRB-UHFFFAOYSA-N

InChI: InChI=1S/C19H18F2N4O/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3/h4-10H,1-3H3,(H2,22,23,24,26)
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Orexin A 人、大鼠、小鼠
- ≥97%(HPLC)
CAS号 : 205640-90-0

分子式: C₁₅₂H₂₄₃N₄₇O₄₄S₄ 分子量: 3561.12
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SB-674042,非肽OX1拮抗剂
- ≥99%
CAS号 : 483313-22-0 Compound CID : 10204153

分子式: C₂₄H₂₁FN₄O₂S 分子量: 448.51

IUPAC Name: [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone

SMILES: CC1=NC(=C(S1)C2=CC=CC=C2F)C(=O)N3CCCC3CC4=NN=C(O4)C5=CC=CC=C5

InChIKey: HYBZWVLPALMACV-KRWDZBQOSA-N

InChI: InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1
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巴氯酚
- ≥98%
CAS号 : 1134-47-0 Compound CID : 2284

分子式: C₁₀H₁₂ClNO₂ 分子量: 213.66

IUPAC Name: 4-amino-3-(4-chlorophenyl)butanoic acid

SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl

InChIKey: KPYSYYIEGFHWSV-UHFFFAOYSA-N

InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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(R)-巴氯芬
- ≥98%
CAS号 : 69308-37-8

分子式: C₁₀H₁₂ClNO₂ 分子量: 213.66

IUPAC Name: (3R)-4-amino-3-(4-chlorophenyl)butanoic acid

SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl

InChIKey: KPYSYYIEGFHWSV-QMMMGPOBSA-N

InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
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钙离子载体 A23187
- ≥97%
CAS号 : 52665-69-7 Compound CID : 11957499

分子式: C₂₉H₃₇N₃O₆ 分子量: 523.62

IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N

InChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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食欲肽B (老鼠) ≥97%, ≥97% (HPLC)
- ≥97%(HPLC)
CAS号 : 202801-92-1 Compound CID : 90479795

分子式: C₁₂₆H₂₁₅N₄₅O₃₄S

IUPAC Name: (2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylpentanoyl]amino]pentanediamide

SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C(CC1=CNC=N1)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C2CCCN2C(=O)C3CCCN3C(=O)CNC(=O)C4CCCN4C(=O)C(CCCNC(=N)N)N

InChIKey: RLVZFBVFVIDDPQ-GWQFQBPDSA-N

InChI: InChI=1S/C126H215N45O34S/c1-18-65(12)99(120(202)166-82(49-64(10)11)117(199)168-100(69(16)172)121(203)156-72(101(133)183)37-44-206-17)167-97(181)57-144-102(184)66(13)150-103(185)67(14)152-111(193)83(50-70-53-140-59-149-70)165-116(198)85(52-93(132)177)155-95(179)55-146-106(188)84(51-92(131)176)161-104(186)68(15)151-107(189)76(32-35-90(129)174)159-114(196)80(47-62(6)7)164-115(197)81(48-63(8)9)163-109(191)74(27-21-40-143-126(138)139)157-110(192)77(33-36-91(130)175)160-113(195)79(46-61(4)5)162-108(190)73(26-20-39-142-125(136)137)153-94(178)54-145-105(187)75(31-34-89(128)173)158-112(194)78(45-60(2)3)154-96(180)56-147-118(200)87-29-23-43-171(87)123(205)88-30-24-41-169(88)98(182)58-148-119(201)86-28-22-42-170(86)122(204)71(127)25-19-38-141-124(134)135/h53,59-69,71-88,99-100,172H,18-52,54-58,127H2,1-17H3,(H2,128,173)(H2,129,174)(H2,130,175)(H2,131,176)(H2,132,177)(H2,133,183)(H,140,149)(H,144,184)(H,145,187)(H,146,188)(H,147,200)(H,148,201)(H,150,185)(H,151,189)(H,152,193)(H,153,178)(H,154,180)(H,155,179)(H,156,203)(H,157,192)(H,158,194)(H,159,196)(H,160,195)(H,161,186)(H,162,190)(H,163,191)(H,164,197)(H,165,198)(H,166,202)(H,167,181)(H,168,199)(H4,134,135,141)(H4,136,137,142)(H4,138,139,143)/t65-,66-,67-,68-,69+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,99-,100-/m0/s1
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3-APPA (CGP 27492)
- 100 mM/ml
CAS号 : 103680-47-3 Compound CID : 6335948

分子式: C₃H₁₀NO₂P 分子量: 123.09

IUPAC Name: 3-aminopropyl-hydroxy-oxophosphanium

SMILES: C(CN)C[P+](=O)O

InChIKey: MQIWYGZSHIXQIU-UHFFFAOYSA-O

InChI: InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
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TCS OX2 29,orexin-2受体拮抗剂
- ≥95%
CAS号 : 372523-75-6 Compound CID : 10408514

分子式: C₂₃H₃₁N₃O₃ 分子量: 397.5

IUPAC Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one

SMILES: CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3

InChIKey: COFVZFLCAOUMJT-OAQYLSRUSA-N

InChI: InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1
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GS 39783
- ≥99%
CAS号 : 39069-52-8 Compound CID : 6604928

分子式: C₁₅H₂₃N₅O₂S 分子量: 337.44

IUPAC Name: 4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine

SMILES: CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3

InChIKey: GSGVDKOCBKBMGG-UHFFFAOYSA-N

InChI: InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
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