Vitas-M small molecule compound
methyl 2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}-5-ethylthiophene-3-carboxylate
Catalog ID
STK455176
SMILES COC(=O)c1cc(sc1NC(=S)Nc1c(C)n(n(c1=O)c1ccccc1)C)CC
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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 C20H22N4O3S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S2/c1-5-14-11-15(19(26)27-4)17(29-14)22-20(28)21-16-12(2)23(3)24(18(16)25)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H2,21,22,28)InChIKey
PODAWGFHBSGCPC-UHFFFAOYSA-NSynonyms
CCC1=CC(=C(S1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OC
InChI=1SC20H22N4O3S2c15141115(19(26)274)17(2914)2220(28)211612(2)23(3)24(18(16)25)1397681013h611H5H214H3(H2212228)
METHYL2((((23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))AMINO)THIOXOMETHYL)AMINO)5ETHYLTHIOPHENE3CARBOXYLATE
methyl2(((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)carbamothioyl)amino)5ethylthiophene3carboxylate
METHYL2((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)CARBAMOTHIOYLAMINO)5ETHYLTHIOPHENE3CARBOXYLATE
MFCD04227441
ZINC000002859117
ZINC02859117
ZINC2859117
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