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

Catalog ID
STL547427
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)N1CCCN(CC1)S(=O)(=O)N1CCCCC1)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 C35H49N5O8S MW 699.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H49N5O8S/c1-24(41)37-28-13-11-25-22-31(46-2)34(47-3)35(48-4)33(25)26-12-14-29(30(42)23-27(26)28)36-15-8-10-32(43)38-16-9-19-40(21-20-38)49(44,45)39-17-6-5-7-18-39/h12,14,22-23,28H,5-11,13,15-21H2,1-4H3,(H,36,42)(H,37,41)/t28-/m0/s1
InChIKey
JZLDNZFMCAJDOQ-NDEPHWFRSA-N
Synonyms

(S)N(123trimethoxy9oxo10((4oxo4(4(piperidin1ylsulfonyl)14diazepan1yl)butyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy9oxo10((4oxo4(4piperidin1ylsulfonyl14diazepan1yl)butyl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541802
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)N1CCCN(CC1)S(=O)(=O)N1CCCCC1)NC(=O)C
InChI=1SC35H49N5O8Sc124(41)37281311252231(462)34(473)35(484)33(25)26121429(30(42)2327(26)28)361581032(43)381691940(212038)49(4445)39176571839h1214222328H511131521H214H3(H3642)(H3741)t28m0s1
N((7S)123trimethoxy9oxo10((4oxo4(4(piperidin1ylsulfonyl)14diazepan1yl)butyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585556
ZINC263585556

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Available files

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