Vitas-M small molecule compound
methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl-L-alaninate
Catalog ID
STL546551
SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)OC)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 C30H39N3O8S MW 601.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8S/c1-16(30(37)41-6)31-29(36)23(12-13-42-7)33-22-11-9-19-20(15-24(22)35)21(32-17(2)34)10-8-18-14-25(38-3)27(39-4)28(40-5)26(18)19/h9,11,14-16,21,23H,8,10,12-13H2,1-7H3,(H,31,36)(H,32,34)(H,33,35)/t16-,21-,23-/m0/s1InChIKey
QKYMKDOHBLWSEL-YROCYRMSSA-NSynonyms
(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)propanoate
110206148
CSCC(C@@H)(C(=O)N(C@H)(C(=O)OC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H39N3O8Sc116(30(37)416)3129(36)23(1213427)33221191920(1524(22)35)21(3217(2)34)108181425(383)27(394)28(405)26(18)19h91114162123H8101213H217H3(H3136)(H3234)(H3335)t162123m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LmethionylLalaninate
ZINC000253412273
ZINC253412273
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.