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N-[(7S)-1,2,3-trimethoxy-10-({(2S)-4-(methylsulfanyl)-1-oxo-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL549456
SMILES CSCC[C@@H](C(=O)N1CCCC1c1nnc2n1cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C36H42N6O6S MW 686.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N6O6S/c1-21(43)37-25-13-11-22-19-30(46-2)33(47-3)34(48-4)32(22)23-12-14-26(29(44)20-24(23)25)38-27(15-18-49-5)36(45)41-17-8-9-28(41)35-40-39-31-10-6-7-16-42(31)35/h6-7,10,12,14,16,19-20,25,27-28H,8-9,11,13,15,17-18H2,1-5H3,(H,37,43)(H,38,44
InChIKey
WDGILLPBRARBIX-CBYROYASSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))4methylsulfanyl1oxo1(2((124)triazolo(43a)pyridin3yl)pyrrolidin1yl)butan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
127252720
CSCC(C@@H)(C(=O)N1CCCC1c1nnc2n1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H42N6O6Sc121(43)37251311221930(462)33(473)34(484)32(22)23121426(29(44)2024(23)25)3827(1518495)36(45)41178928(41)3540393110671642(31)35h67101214161920252728H891113151718H215H3(H3743)(H3844)t252728?m0s1
N((7S)10(((2S)1(2((124)triazolo(43a)pyridin3yl)pyrrolidin1yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)123trimethoxy10(((2S)4(methylsulfanyl)1oxo1(2((124)triazolo(43a)pyridin3yl)pyrrolidin1yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000604405820
ZINC000604405824

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Available files

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