Vitas-M small molecule compound
ethyl 2-{[(3-acetylphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK464962
SMILES CCOC(=O)c1c(NC(=S)Nc2cccc(c2)C(=O)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)17-15-9-4-5-10-16(15)27-18(17)22-20(26)21-14-8-6-7-13(11-14)12(2)23/h6-8,11H,3-5,9-10H2,1-2H3,(H2,21,22,26)InChIKey
DATDGSILTFCNBR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=CC(=C3)C(=O)C
ethyl2(((3acetylphenyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3acetylphenyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H22N2O3S2c132519(24)17159451016(15)2718(17)2220(26)211486713(1114)12(2)23h6811H35910H212H3(H2212226)
MFCD06077055
ZINC000017082526
ZINC17082526
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