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

Catalog ID
STL546528
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N1CCCN(CC1)S(=O)(=O)N1CCCC1)CC(C)C)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 C36H51N5O8S MW 713.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H51N5O8S/c1-23(2)20-30(36(44)39-14-9-17-41(19-18-39)50(45,46)40-15-7-8-16-40)38-29-13-11-26-27(22-31(29)43)28(37-24(3)42)12-10-25-21-32(47-4)34(48-5)35(49-6)33(25)26/h11,13,21-23,28,30H,7-10,12,14-20H2,1-6H3,(H,37,42)(H,38,43)/t28-,30-/m0/s1
InChIKey
HRSFOYQQSYSADT-JDXGNMNLSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))4methyl1oxo1(4pyrrolidin1ylsulfonyl14diazepan1yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541750
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)N1CCCN(CC1)S(=O)(=O)N1CCCC1)CC(C)C)NC(=O)C
InChI=1SC36H51N5O8Sc123(2)2030(36(44)391491741(191839)50(4546)4015781640)382913112627(2231(29)43)28(3724(3)42)1210252132(474)34(485)35(496)33(25)26h111321232830H710121420H216H3(H3742)(H3843)t2830m0s1
N((7S)123trimethoxy10(((2S)4methyl1oxo1(4(pyrrolidin1ylsulfonyl)14diazepan1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)4methyl1oxo1(4(pyrrolidin1ylsulfonyl)14diazepan1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585350
ZINC263585350

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Available files

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