Vitas-M small molecule compound
methyl 4-{(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(5-methylfuran-2-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL039890
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(o2)C)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C27H22N2O6S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6S/c1-13-11-14(2)21-19(12-13)36-27(28-21)29-22(16-6-8-17(9-7-16)26(33)34-4)20(24(31)25(29)32)23(30)18-10-5-15(3)35-18/h5-12,22,30H,1-4H3/b23-20+InChIKey
INGHHEZUPMHRJC-BSYVCWPDSA-NSynonyms
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(o2)C)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
methyl4((3E)1(46dimethyl13benzothiazol2yl)3(hydroxy(5methylfuran2yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD03808465
ZINC000102864645
ZINC000102864647
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