Vitas-M small molecule compound
methyl 2-{[(2-hydroxy-5-methylphenyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK450378
SMILES COC(=O)c1c(NC(=S)Nc2cc(C)ccc2O)sc2c1CCC(C2)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 C19H22N2O3S2 MW 390.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O3S2/c1-10-5-7-14(22)13(8-10)20-19(25)21-17-16(18(23)24-3)12-6-4-11(2)9-15(12)26-17/h5,7-8,11,22H,4,6,9H2,1-3H3,(H2,20,21,25)InChIKey
TWQTYCIKOZJTGJ-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=CC(=C3)C)O
InChI=1SC19H22N2O3S2c1105714(22)13(810)2019(25)211716(18(23)243)126411(2)915(12)2617h5781122H469H213H3(H2202125)
methyl2(((2hydroxy5methylphenyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2hydroxy5methylphenyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD06758136
ZINC000017079775
ZINC000017079776
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