Vitas-M small molecule compound
methyl 5-(diethylcarbamoyl)-2-({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STK456127
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)NCc1cn(nc1c1ccccc1)c1ccccc1)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 C29H31N5O3S2 MW 561.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3S2/c1-5-33(6-2)27(35)25-19(3)23(28(36)37-4)26(39-25)31-29(38)30-17-21-18-34(22-15-11-8-12-16-22)32-24(21)20-13-9-7-10-14-20/h7-16,18H,5-6,17H2,1-4H3,(H2,30,31,38)InChIKey
MVSQHHQQWQFPET-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C
InChI=1SC29H31N5O3S2c1533(62)27(35)2519(3)23(28(36)374)26(3925)3129(38)3017211834(2215118121622)3224(21)201397101420h71618H5617H214H3(H2303138)
methyl5(diethylcarbamoyl)2((((13diphenyl1Hpyrazol4yl)methyl)carbamothioyl)amino)4methylthiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)2((13DIPHENYLPYRAZOL4YL)METHYLCARBAMOTHIOYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)2(((((13DIPHENYLPYRAZOL4YL)METHYL)AMINO)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05988941
ZINC000059603000
ZINC59603000
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