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

Catalog ID
STL546520
SMILES CSCC[C@@H](C(=O)N1CCC[C@H]1c1nc2c(n1C)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 C38H45N5O6S MW 699.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45N5O6S/c1-22(44)39-26-15-13-23-20-33(47-3)35(48-4)36(49-5)34(23)24-14-16-28(32(45)21-25(24)26)40-29(17-19-50-6)38(46)43-18-9-12-31(43)37-41-27-10-7-8-11-30(27)42(37)2/h7-8,10-11,14,16,20-21,26,29,31H,9,12-13,15,17-19H2,1-6H3,(H,39,44)(H,40,4
InChIKey
ZCVNETKIIVLLKG-CRFLUJQRSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))1((2~(S))2(1methylbenzimidazol2yl)pyrrolidin1yl)4methylsulfanyl1oxobutan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541256
CSCC(C@@H)(C(=O)N1CCC(C@H)1c1nc2c(n1C)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H45N5O6Sc122(44)39261513232033(473)35(484)36(495)34(23)24141628(32(45)2125(24)26)4029(1719506)38(46)431891231(43)37412710781130(27)42(37)2h78101114162021262931H91213151719H216H3(H3944)(H4045)t262931m0s1
N((7S)123trimethoxy10(((2S)1((2S)2(1methyl1Hbenzimidazol2yl)pyrrolidin1yl)4(methylsulfanyl)1oxobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)1((S)2(1methyl1Hbenzo(d)imidazol2yl)pyrrolidin1yl)4(methylthio)1oxobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586867
ZINC263586867

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Available files

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