Vitas-M small molecule compound
methyl 5-(diethylcarbamoyl)-4-methyl-2-{[(4-methyl-1H-pyrazol-1-yl)carbonothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK456836
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)n1ncc(c1)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 C17H22N4O3S2 MW 394.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3S2/c1-6-20(7-2)15(22)13-11(4)12(16(23)24-5)14(26-13)19-17(25)21-9-10(3)8-18-21/h8-9H,6-7H2,1-5H3,(H,19,25)InChIKey
FYFXDIFSDBCLDS-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2C=C(C=N2)C)C(=O)OC)C
InChI=1SC17H22N4O3S2c1620(72)15(22)1311(4)12(16(23)245)14(2613)1917(25)21910(3)81821h89H67H215H3(H1925)
methyl5(diethylcarbamoyl)4methyl2(((4methyl1Hpyrazol1yl)carbonothioyl)amino)thiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)4METHYL2(((4METHYL1HPYRAZOL1YL)CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL5(DIETHYLCARBAMOYL)4METHYL2((4METHYLPYRAZOLE1CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)4METHYL2(((4METHYLPYRAZOLYL)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD04220612
ZINC000002858076
ZINC02858076
ZINC2858076
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.