Vitas-M small molecule compound
methyl 4,5-dimethyl-2-[({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-3-yl}carbonyl)amino]thiophene-3-carboxylate
Catalog ID
STL395625
SMILES COC(=O)c1c(NC(=O)c2ccn(n2)c2nc(cc(n2)C(F)(F)F)c2cnn(c2)C)sc(c1C)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 C21H18F3N7O3S MW 505.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N7O3S/c1-10-11(2)35-18(16(10)19(33)34-4)28-17(32)13-5-6-31(29-13)20-26-14(12-8-25-30(3)9-12)7-15(27-20)21(22,23)24/h5-9H,1-4H3,(H,28,32)InChIKey
SEUVVBBCHDXQDV-UHFFFAOYSA-NSynonyms
1005645-77-11005645771
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)C3=NC(=CC(=N3)C(F)(F)F)C4=CN(N=C4)C)C
InChI=1SC21H18F3N7O3Sc11011(2)3518(16(10)19(33)344)2817(32)135631(2913)202614(1282530(3)912)715(2720)21(2223)24h59H14H3(H2832)
METHYL45DIMETHYL2(((1(4(1METHYL1HPYRAZOL4YL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)1HPYRAZOL3YL)CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
methyl45dimethyl2((1(4(1methylpyrazol4yl)6(trifluoromethyl)pyrimidin2yl)pyrazole3carbonyl)amino)thiophene3carboxylate
MFCD04140195
ZINC000002730995
ZINC02730995
ZINC2730995
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