Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(5-methylfuran-2-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK606027
SMILES CCc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc(o2)C)/O)/C1c1ccc(cc1)C(=O)OC
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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 C27H22N2O6S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6S/c1-4-15-6-11-18-20(13-15)36-27(28-18)29-22(16-7-9-17(10-8-16)26(33)34-3)21(24(31)25(29)32)23(30)19-12-5-14(2)35-19/h5-13,22,30H,4H2,1-3H3/b23-21+InChIKey
MQJCMPFZYBETQB-XTQSDGFTSA-NSynonyms
CCc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc(o2)C)O)C1c1ccc(cc1)C(=O)OC
methyl4((3E)1(6ethyl13benzothiazol2yl)3(hydroxy(5methylfuran2yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD08730378
ZINC000102700141
ZINC000102700148
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