Vitas-M small molecule compound
ethyl 2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK050785
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(c2)C)sc2c1CCCC2
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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 C20H22N2O3S2 MW 402.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S2/c1-3-25-19(24)16-14-9-4-5-10-15(14)27-18(16)22-20(26)21-17(23)13-8-6-7-12(2)11-13/h6-8,11H,3-5,9-10H2,1-2H3,(H2,21,22,23,26)InChIKey
PXAFEYFUDYWZSU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=CC=C3)C
CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(c2)C)sc2c1CCCC2
ethyl2((((3methylphenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3methylbenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H22N2O3S2c132519(24)16149451015(14)2718(16)2220(26)2117(23)1386712(2)1113h6811H35910H212H3(H221222326)
MFCD02630434
STK050785
ZINC000000660472
ZINC00660472
ZINC660472
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