Vitas-M small molecule compound
diethyl 5-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK961371
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(n2)nc(cc3C(F)F)C)sc(c1C)C(=O)OCC
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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 C19H19F2N5O5S MW 467.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F2N5O5S/c1-5-30-17(28)11-9(4)12(18(29)31-6-2)32-16(11)24-15(27)14-23-19-22-8(3)7-10(13(20)21)26(19)25-14/h7,13H,5-6H2,1-4H3,(H,24,27)InChIKey
PHFGUBRXGDTWKY-UHFFFAOYSA-NSynonyms
445238-31-3445238313
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C(F)F
DIETHYL5(((7(DIFLUOROMETHYL)5METHYL(124)TRIAZOLO(15A)PYRIMIDIN2YL)CARBONYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
diethyl5(((7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidin2yl)carbonyl)amino)3methylthiophene24dicarboxylate
DIETHYL5((7(DIFLUOROMETHYL)5METHYL(124)TRIAZOLO(15A)PYRIMIDINE2CARBONYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC19H19F2N5O5Sc153017(28)119(4)12(18(29)3162)3216(11)2415(27)142319228(3)710(13(20)21)26(19)2514h713H56H214H3(H2427)
MFCD02373763
ZINC000002108730
ZINC02108730
ZINC2108730
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