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

Catalog ID
STL549248
SMILES CSCC[C@@H](C(=O)N1CCC[C@H]1c1nc2c([nH]1)cccc2)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 C37H43N5O6S MW 685.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H43N5O6S/c1-21(43)38-25-14-12-22-19-32(46-2)34(47-3)35(48-4)33(22)23-13-15-28(31(44)20-24(23)25)39-29(16-18-49-5)37(45)42-17-8-11-30(42)36-40-26-9-6-7-10-27(26)41-36/h6-7,9-10,13,15,19-20,25,29-30H,8,11-12,14,16-18H2,1-5H3,(H,38,43)(H,39,44)(H
InChIKey
SPSKPDGISBOTIM-ARVREXMNSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1((2~(S))2(1~(H)benzimidazol2yl)pyrrolidin1yl)4methylsulfanyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541002
CSCC(C@@H)(C(=O)N1CCC(C@H)1c1nc2c((nH)1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H43N5O6Sc121(43)38251412221932(462)34(473)35(484)33(22)23131528(31(44)2024(23)25)3929(1618495)37(45)421781130(42)3640269671027(26)4136h6791013151920252930H81112141618H215H3(H3843)(H3944)(H4041)t252930m0s1
N((7S)10(((2S)1((2S)2(1Hbenzimidazol2yl)pyrrolidin1yl)4(methylsulfanyl)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1((S)2(1Hbenzo(d)imidazol2yl)pyrrolidin1yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586322
ZINC263586322

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Available files

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