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N-[(7S)-10-{[(2S)-1-{4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}-3-methyl-1-oxopentan-2-yl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL550173
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C36H48N6O8S MW 724.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H48N6O8S/c1-9-20(2)32(36(45)41-14-16-42(17-15-41)51(46,47)35-21(3)39-40-22(35)4)38-28-13-11-25-26(19-29(28)44)27(37-23(5)43)12-10-24-18-30(48-6)33(49-7)34(50-8)31(24)25/h11,13,18-20,27,32H,9-10,12,14-17H2,1-8H3,(H,37,43)(H,38,44)(H,39,40)/t20-
InChIKey
WGFBPWWGXGPUAS-MLEOTOBYSA-N
Synonyms
~(N)((7~(S))10(((2~(S)3~(R))1(4((35dimethyl1~(H)pyrazol4yl)sulfonyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)S(=O)(=O)c1c(C)n(nH)c1C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
N((7S)10(((2S)1(4((35dimethyl1Hpyrazol4yl)sulfonyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(4((35dimethyl1Hpyrazol4yl)sulfonyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
Registry IDs
ZINC000604405827
ZINC604405827

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Available files

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