Vitas-M small molecule compound
ethyl (2Z)-2-[(4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)imino]-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL545291
SMILES CCOC(=O)c1cs/c(=N\C(=O)CCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/[nH]1
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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 C31H36N4O8S MW 624.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O8S/c1-6-43-30(39)23-16-44-31(34-23)35-26(38)8-7-13-32-22-12-10-19-20(15-24(22)37)21(33-17(2)36)11-9-18-14-25(40-3)28(41-4)29(42-5)27(18)19/h10,12,14-16,21H,6-9,11,13H2,1-5H3,(H,32,37)(H,33,36)(H,34,35,38)InChIKey
BNZSPVQAFTUMEU-UHFFFAOYSA-NSynonyms
135639714
ethyl(2Z)2((4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)imino)23dihydro13thiazole4carboxylate
ethyl2(4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)13thiazole4carboxylate
InChI=1SC31H36N4O8Sc164330(39)23164431(3423)3526(38)8713322212101920(1524(22)37)21(3317(2)36)119181425(403)28(414)29(425)27(18)19h1012141621H691113H215H3(H3237)(H3336)(H343538)
MFCD31756212
ZINC000108451578
ZINC000504649045
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