Vitas-M small molecule compound
methyl 4-ethyl-2-[({4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}carbonothioyl)amino]-5-methylthiophene-3-carboxylate
Catalog ID
STK456567
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)Cc2cnn(c2C)CC)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 C21H31N5O2S2 MW 449.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5O2S2/c1-6-17-15(4)30-19(18(17)20(27)28-5)23-21(29)25-10-8-24(9-11-25)13-16-12-22-26(7-2)14(16)3/h12H,6-11,13H2,1-5H3,(H,23,29)InChIKey
VERDQGSBKPHERG-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)CC)C)C
InChI=1SC21H31N5O2S2c161715(4)3019(18(17)20(27)285)2321(29)2510824(91125)1316122226(72)14(16)3h12H61113H215H3(H2329)
methyl4ethyl2(((4((1ethyl5methyl1Hpyrazol4yl)methyl)piperazin1yl)carbonothioyl)amino)5methylthiophene3carboxylate
METHYL4ETHYL2(((4((1ETHYL5METHYL1HPYRAZOL4YL)METHYL)PIPERAZIN1YL)CARBOTHIOYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
METHYL4ETHYL2(((4((1ETHYL5METHYLPYRAZOL4YL)METHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
METHYL4ETHYL2((4((1ETHYL5METHYLPYRAZOL4YL)METHYL)PIPERAZINE1CARBOTHIOYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD05058450
ZINC000020191458
ZINC20191458
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