Vitas-M small molecule compound
methyl 2-{[(2-hydroxy-5-methylphenyl)carbamothioyl]amino}-5-methyl-4-phenylthiophene-3-carboxylate
Catalog ID
STK463085
SMILES COC(=O)c1c(NC(=S)Nc2cc(C)ccc2O)sc(c1c1ccccc1)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 C21H20N2O3S2 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S2/c1-12-9-10-16(24)15(11-12)22-21(27)23-19-18(20(25)26-3)17(13(2)28-19)14-7-5-4-6-8-14/h4-11,24H,1-3H3,(H2,22,23,27)InChIKey
IEQXOWCWLZNADX-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)O)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC
InChI=1SC21H20N2O3S2c11291016(24)15(1112)2221(27)231918(20(25)263)17(13(2)2819)147546814h41124H13H3(H2222327)
METHYL2((((2HYDROXY5METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
methyl2(((2hydroxy5methylphenyl)carbamothioyl)amino)5methyl4phenylthiophene3carboxylate
methyl2((2hydroxy5methylphenyl)carbamothioylamino)5methyl4phenylthiophene3carboxylate
MFCD06757565
ZINC000017089299
ZINC17089299
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