Vitas-M small molecule compound
N-cyclopropyl-1-{6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]pyrimidin-4-yl}-1H-pyrazole-3-carboxamide
Catalog ID
STL083961
SMILES O=C(Nc1cccc(c1)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)12-2-1-3-14(8-12)26-17(30)10-32-18-9-16(24-11-25-18)29-7-6-15(28-29)19(31)27-13-4-5-13/h1-3,6-9,11,13H,4-5,10H2,(H,26,30)(H,27,31)InChIKey
VXQYYXUFUYCRRE-UHFFFAOYSA-NSynonyms
C1CC1NC(=O)C2=NN(C=C2)C3=CC(=NC=N3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC20H17F3N6O2Sc2120(2223)1221314(812)2617(30)103218916(24112518)297615(2829)19(31)27134513h13691113H4510H2(H2630)(H2731)
MFCD18202531
Ncyclopropyl1(6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)pyrimidin4yl)1Hpyrazole3carboxamide
Ncyclopropyl1(6(2oxo2(3(trifluoromethyl)anilino)ethyl)sulfanylpyrimidin4yl)pyrazole3carboxamide
ZINC000057520081
ZINC57520081
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