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N-[(7S)-10-{[(2S)-1-{4-[(4-chlorophenyl)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
STL547470
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)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 C37H45ClN4O8S MW 741.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45ClN4O8S/c1-7-22(2)34(37(45)41-16-18-42(19-17-41)51(46,47)26-11-9-25(38)10-12-26)40-30-15-13-27-28(21-31(30)44)29(39-23(3)43)14-8-24-20-32(48-4)35(49-5)36(50-6)33(24)27/h9-13,15,20-22,29,34H,7-8,14,16-19H2,1-6H3,(H,39,43)(H,40,44)/t22-,29+,3
InChIKey
GLYSZGOHXHBWEX-REZAABISSA-N
Synonyms

~(N)((7~(S))10(((2~(S)3~(R))1(4(4chlorophenyl)sulfonylpiperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541377
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H45ClN4O8Sc1722(2)34(37(45)41161842(191741)51(4647)2611925(38)101226)403015132728(2131(30)44)29(3923(3)43)148242032(484)35(495)36(506)33(24)27h9131520222934H78141619H216H3(H3943)(H4044)t2229+34+m1s1
N((7S)10(((2S)1(4((4chlorophenyl)sulfonyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(4((4chlorophenyl)sulfonyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585222
ZINC263585222

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Available files

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