Vitas-M small molecule compound
methyl 4-{(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(thiophen-2-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL044883
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2cccs2)\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 C26H20N2O5S2 MW 504.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O5S2/c1-13-11-14(2)20-18(12-13)35-26(27-20)28-21(15-6-8-16(9-7-15)25(32)33-3)19(23(30)24(28)31)22(29)17-5-4-10-34-17/h4-12,21,29H,1-3H3/b22-19+InChIKey
DHNGWQFQJIFSJM-ZBJSNUHESA-NSynonyms
COC(=O)c1ccc(cc1)C1C(=C(c2cccs2)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
methyl4((3E)1(46dimethyl13benzothiazol2yl)3(hydroxy(thiophen2yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD03798562
ZINC000102876277
ZINC000102876280
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