Vitas-M small molecule compound
ethyl 2-{(3E)-2-(4-ethoxyphenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL046973
SMILES CCOc1ccc(cc1)C1N(c2nc(c(s2)C(=O)OCC)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)C)/O
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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 C27H26N2O6S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6S/c1-5-34-19-13-11-17(12-14-19)21-20(22(30)18-9-7-15(3)8-10-18)23(31)25(32)29(21)27-28-16(4)24(36-27)26(33)35-6-2/h7-14,21,30H,5-6H2,1-4H3/b22-20+InChIKey
KBTLOTPNNFSUNS-LSDHQDQOSA-NSynonyms
370576-26-4370576264
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC)C
CCOc1ccc(cc1)C1N(c2nc(c(s2)C(=O)OCC)C)C(=O)C(=O)C1=C(c1ccc(cc1)C)O
ethyl2((3E)2(4ethoxyphenyl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC27H26N2O6Sc153419131117(121419)2120(22(30)189715(3)81018)23(31)25(32)29(21)272816(4)24(3627)26(33)3562h7142130H56H214H3b2220+
MFCD03795789
ZINC000102882057
ZINC000102882063
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