Vitas-M small molecule compound

methyl 4-ethyl-5-methyl-2-{[(1H-pyrazol-3-ylmethyl)carbamothioyl]amino}thiophene-3-carboxylate

Catalog ID
STK439863
SMILES COC(=O)c1c(NC(=S)NCc2n[nH]cc2)sc(c1CC)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 C14H18N4O2S2 MW 338.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N4O2S2/c1-4-10-8(2)22-12(11(10)13(19)20-3)17-14(21)15-7-9-5-6-16-18-9/h5-6H,4,7H2,1-3H3,(H,16,18)(H2,15,17,21)
InChIKey
QPQJSDLKKKKOQI-UHFFFAOYSA-N
Synonyms

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=NN2)C
COC(=O)c1c(NC(=S)NCc2n(nH)cc2)sc(c1CC)C
InChI=1SC14H18N4O2S2c14108(2)2212(11(10)13(19)203)1714(21)15795616189h56H47H213H3(H1618)(H2151721)
METHYL4ETHYL5METHYL2((((PYRAZOL3YLMETHYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
methyl4ethyl5methyl2(((1Hpyrazol3ylmethyl)carbamothioyl)amino)thiophene3carboxylate
METHYL4ETHYL5METHYL2(1HPYRAZOL5YLMETHYLCARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03946054
ZINC000006294620
ZINC06294620
ZINC6294620

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.