Vitas-M small molecule compound
N-cyclopropyl-1-{6-[(2-oxo-2-{[4-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]pyrimidin-4-yl}-1H-pyrazole-3-carboxamide
Catalog ID
STL084038
SMILES O=C(Nc1ccc(cc1)C(F)(F)F)CSc1ncnc(c1)n1ccc(n1)C(=O)NC1CC1
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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 C20H17F3N6O2S MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F3N6O2S/c21-20(22,23)12-1-3-13(4-2-12)26-17(30)10-32-18-9-16(24-11-25-18)29-8-7-15(28-29)19(31)27-14-5-6-14/h1-4,7-9,11,14H,5-6,10H2,(H,26,30)(H,27,31)InChIKey
IQXYVPKVJTYZFQ-UHFFFAOYSA-NSynonyms
C1CC1NC(=O)C2=NN(C=C2)C3=CC(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(F)(F)F
InChI=1SC20H17F3N6O2Sc2120(2223)121313(4212)2617(30)103218916(24112518)298715(2829)19(31)27145614h14791114H5610H2(H2630)(H2731)
MFCD18202608
Ncyclopropyl1(6((2oxo2((4(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)pyrimidin4yl)1Hpyrazole3carboxamide
Ncyclopropyl1(6(2oxo2(4(trifluoromethyl)anilino)ethyl)sulfanylpyrimidin4yl)pyrazole3carboxamide
ZINC000057520366
ZINC57520366
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