Vitas-M small molecule compound
2-{7-oxo-3-[3-(trifluoromethyl)benzyl]-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK900959
SMILES O=C(Cn1cnc2c(c1=O)nnn2Cc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)C(F)(F)F
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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 C21H14F6N6O2 MW 496.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F6N6O2/c22-20(23,24)13-4-6-15(7-5-13)29-16(34)10-32-11-28-18-17(19(32)35)30-31-33(18)9-12-2-1-3-14(8-12)21(25,26)27/h1-8,11H,9-10H2,(H,29,34)InChIKey
HROGTSVSTWJMAH-UHFFFAOYSA-NSynonyms
2(7oxo3((3(trifluoromethyl)phenyl)methyl)triazolo(45d)pyrimidin6yl)N(4(trifluoromethyl)phenyl)acetamide
2(7oxo3(3(trifluoromethyl)benzyl)37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(4(trifluoromethyl)phenyl)acetamide
C1=CC(=CC(=C1)C(F)(F)F)CN2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(F)(F)F)N=N2
InChI=1SC21H14F6N6O2c2220(2324)134615(7513)2916(34)103211281817(19(32)35)303133(18)91221314(812)21(2526)27h1811H910H2(H2934)
MFCD18173755
ZINC000044837061
ZINC44837061
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