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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-L-isoleucinamide

Catalog ID
STL546841
SMILES CC[C@H]([C@@H](C(=O)Nc1n(C)nc2c1CSC2)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 C33H41N5O6S MW 635.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N5O6S/c1-8-17(2)29(33(41)36-32-22-15-45-16-25(22)37-38(32)4)35-24-12-10-20-21(14-26(24)40)23(34-18(3)39)11-9-19-13-27(42-5)30(43-6)31(44-7)28(19)20/h10,12-14,17,23,29H,8-9,11,15-16H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)/t17-,23+,29+/m1/s1
InChIKey
WGVOXESMQNZCAV-GVQLWFBZSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2methyl46dihydrothieno(34c)pyrazol3yl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2methyl46dihydro2Hthieno(34c)pyrazol3yl)pentanamide
121541211
CC(C@H)((C@@H)(C(=O)Nc1n(C)nc2c1CSC2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H41N5O6Sc1817(2)29(33(41)36322215451625(22)3738(32)4)352412102021(1426(24)40)23(3418(3)39)119191327(425)30(436)31(447)28(19)20h101214172329H89111516H217H3(H3439)(H3540)(H3641)t1723+29+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2methyl26dihydro4Hthieno(34c)pyrazol3yl)Lisoleucinamide
ZINC000263586632
ZINC263586632

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Available files

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