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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-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-L-valinamide

Catalog ID
STL542200
SMILES CSCC[C@@H](c1nnc2n1cccc2)NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)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 C36H44N6O6S MW 688.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N6O6S/c1-20(2)32(36(45)39-27(15-17-49-7)35-41-40-30-10-8-9-16-42(30)35)38-26-14-12-23-24(19-28(26)44)25(37-21(3)43)13-11-22-18-29(46-4)33(47-5)34(48-6)31(22)23/h8-10,12,14,16,18-20,25,27,32H,11,13,15,17H2,1-7H3,(H,37,43)(H,38,44)(H,39,45)/t
InChIKey
MUVPNHVIOLYROY-AMIUEWMLSA-N
Synonyms
1574346-94-3
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1~(S))3methylsulfanyl1((124)triazolo(43a)pyridin3yl)propyl)butanamide
(S)N((S)1((124)triazolo(43a)pyridin3yl)3(methylthio)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamide
1574346943
75492469
CSCC(C@@H)(c1nnc2n1cccc2)NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H44N6O6Sc120(2)32(36(45)3927(1517497)3541403010891642(30)35)382614122324(1928(26)44)25(3721(3)43)1311221829(464)33(475)34(486)31(22)23h8101214161820252732H11131517H217H3(H3743)(H3844)(H3945)t252732m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)3(methylsulfanyl)1((124)triazolo(43a)pyridin3yl)propyl)Lvalinamide
ZINC000150653827
ZINC150653827

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Available files

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