Vitas-M small molecule compound
methyl 5-(dimethylcarbamoyl)-2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STK332779
SMILES COC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccc(c(c2)C)C)sc(c1C)C(=O)N(C)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 C26H24F3N5O4S MW 559.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24F3N5O4S/c1-12-7-8-15(9-13(12)2)16-10-18(26(27,28)29)34-19(30-16)11-17(32-34)22(35)31-23-20(25(37)38-6)14(3)21(39-23)24(36)33(4)5/h7-11H,1-6H3,(H,31,35)InChIKey
STOCNMZKJNXWKL-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C(=C(S4)C(=O)N(C)C)C)C(=O)OC)C
InChI=1SC26H24F3N5O4Sc1127815(913(12)2)161018(26(2728)29)3419(3016)1117(3234)22(35)312320(25(37)386)14(3)21(3923)24(36)33(4)5h711H16H3(H3135)
methyl5(dimethylcarbamoyl)2(((5(34dimethylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4methylthiophene3carboxylate
METHYL5(DIMETHYLCARBAMOYL)2((5(34DIMETHYLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE2CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIMETHYLCARBAMOYL)2((5(34DIMETHYLPHENYL)7(TRIFLUOROMETHYL)(8HYDROPYRAZOLO(15A)PYRIMIDIN2YL))CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03074432
ZINC000002737993
ZINC2737993
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.