Vitas-M small molecule compound
ethyl (2E)-2-({(E)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]valyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL540901
SMILES CCOC(=O)c1s/c(=N/C(=O)C(C(C)C)Nc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/[nH]c1C
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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 C33H40N4O8S MW 652.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O8S/c1-9-45-32(41)30-17(4)34-33(46-30)37-31(40)27(16(2)3)36-23-13-11-20-21(15-24(23)39)22(35-18(5)38)12-10-19-14-25(42-6)28(43-7)29(44-8)26(19)20/h11,13-16,22,27H,9-10,12H2,1-8H3,(H,35,38)(H,36,39)(H,34,37,40)InChIKey
CVJSAKVSTWIQJK-UHFFFAOYSA-NSynonyms
75356721
ethyl(2E)2(((E)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)valyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)4methyl13thiazole5carboxylate
InChI=1SC33H40N4O8Sc194532(41)3017(4)3433(4630)3731(40)27(16(2)3)362313112021(1524(23)39)22(3518(5)38)1210191425(426)28(437)29(448)26(19)20h1113162227H91012H218H3(H3538)(H3639)(H343740)
MFCD31755203
ZINC000150653239
ZINC000206243654
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