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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-valinamide

Catalog ID
STL546789
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2n(C)nc3c2CSC3)C(C)C)NC(=O)C)cc(c1OC)OC

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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 C32H39N5O6S MW 621.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N5O6S/c1-16(2)28(32(40)35-31-21-14-44-15-24(21)36-37(31)4)34-23-11-9-19-20(13-25(23)39)22(33-17(3)38)10-8-18-12-26(41-5)29(42-6)30(43-7)27(18)19/h9,11-13,16,22,28H,8,10,14-15H2,1-7H3,(H,33,38)(H,34,39)(H,35,40)/t22-,28-/m0/s1
InChIKey
XYUBWGDINRTGOU-DWACAAAGSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2methyl46dihydrothieno(34c)pyrazol3yl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2methyl46dihydro2Hthieno(34c)pyrazol3yl)butanamide
121541870
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2n(C)nc3c2CSC3)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H39N5O6Sc116(2)28(32(40)35312114441524(21)3637(31)4)34231191920(1325(23)39)22(3317(3)38)108181226(415)29(426)30(437)27(18)19h91113162228H8101415H217H3(H3338)(H3439)(H3540)t2228m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2methyl26dihydro4Hthieno(34c)pyrazol3yl)Lvalinamide
ZINC000263586787
ZINC263586787

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Available files

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