Vitas-M small molecule compound
5-{(E)-[3-(1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL369967
SMILES S=C1S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)/C(=O)N1c1ccc2c(c1)OCO2
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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 C20H15N3O4S2 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O4S2/c1-21-13-5-3-11(7-14(13)22(2)19(21)25)8-17-18(24)23(20(28)29-17)12-4-6-15-16(9-12)27-10-26-15/h3-9H,10H2,1-2H3/b17-8+InChIKey
FGFXGFNRFIGDJD-CAOOACKPSA-NSynonyms
(5E)3(13benzodioxol5yl)5((13dimethyl2oxobenzimidazol5yl)methylidene)2sulfanylidene13thiazolidin4one
5((E)(3(13benzodioxol5yl)4oxo2thioxo13thiazolidin5ylidene)methyl)13dimethyl13dihydro2Hbenzimidazol2one
CN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC5=C(C=C4)OCO5)N(C1=O)C
InChI=1SC20H15N3O4S2c121135311(714(13)22(2)19(21)25)81718(24)23(20(28)2917)12461516(912)27102615h39H10H212H3b178+
MFCD03905693
S=C1SC(=Cc2ccc3c(c2)n(C)c(=O)n3C)C(=O)N1c1ccc2c(c1)OCO2
ZINC000009233015
ZINC09233015
ZINC9233015
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