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N-[(7S)-1,2,3-trimethoxy-10-({(2S)-4-methyl-1-oxo-1-[4-(piperidin-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
STL549186
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N1CCCN(CC1)S(=O)(=O)N1CCCCC1)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 C37H53N5O8S MW 727.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H53N5O8S/c1-24(2)21-31(37(45)40-15-10-18-42(20-19-40)51(46,47)41-16-8-7-9-17-41)39-30-14-12-27-28(23-32(30)44)29(38-25(3)43)13-11-26-22-33(48-4)35(49-5)36(50-6)34(26)27/h12,14,22-24,29,31H,7-11,13,15-21H2,1-6H3,(H,38,43)(H,39,44)/t29-,31-/m0/s
InChIKey
OJTOQAJKIWTRSX-SMCANUKXSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))4methyl1oxo1(4piperidin1ylsulfonyl14diazepan1yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121542271
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)N1CCCN(CC1)S(=O)(=O)N1CCCCC1)CC(C)C)NC(=O)C
InChI=1SC37H53N5O8Sc124(2)2131(37(45)4015101842(201940)51(4647)41168791741)393014122728(2332(30)44)29(3825(3)43)1311262233(484)35(495)36(506)34(26)27h121422242931H711131521H216H3(H3843)(H3944)t2931m0s1
N((7S)123trimethoxy10(((2S)4methyl1oxo1(4(piperidin1ylsulfonyl)14diazepan1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)4methyl1oxo1(4(piperidin1ylsulfonyl)14diazepan1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585965
ZINC263585965

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Available files

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