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

Catalog ID
STL550374
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)C(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 C35H46N6O8S MW 710.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H46N6O8S/c1-19(2)31(35(44)40-13-15-41(16-14-40)50(45,46)34-20(3)38-39-21(34)4)37-27-12-10-24-25(18-28(27)43)26(36-22(5)42)11-9-23-17-29(47-6)32(48-7)33(49-8)30(23)24/h10,12,17-19,26,31H,9,11,13-16H2,1-8H3,(H,36,42)(H,37,43)(H,38,39)/t26-,31-/m
InChIKey
DQQXKEAREAONMN-HVNZXBJASA-N
Synonyms

~(N)((7~(S))10(((2~(S))1(4((35dimethyl1~(H)pyrazol4yl)sulfonyl)piperazin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
127253994
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)N1CCN(CC1)S(=O)(=O)c1c(C)n(nH)c1C)C(C)C)NC(=O)C
InChI=1SC35H46N6O8Sc119(2)31(35(44)40131541(161440)50(4546)3420(3)383921(34)4)372712102425(1828(27)43)26(3622(5)42)119231729(476)32(487)33(498)30(23)24h101217192631H9111316H218H3(H3642)(H3743)(H3839)t2631m0s1
N((7S)10(((2S)1(4((35dimethyl1Hpyrazol4yl)sulfonyl)piperazin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(4((35dimethyl1Hpyrazol4yl)sulfonyl)piperazin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000604406294
ZINC604406294

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Available files

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