Vitas-M small molecule compound
N-(3-chloro-4-fluorophenyl)-2-{7-oxo-3-[3-(trifluoromethyl)benzyl]-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Catalog ID
STK879055
SMILES O=C(Cn1cnc2c(c1=O)nnn2Cc1cccc(c1)C(F)(F)F)Nc1ccc(c(c1)Cl)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 C20H13ClF4N6O2 MW 480.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClF4N6O2/c21-14-7-13(4-5-15(14)22)27-16(32)9-30-10-26-18-17(19(30)33)28-29-31(18)8-11-2-1-3-12(6-11)20(23,24)25/h1-7,10H,8-9H2,(H,27,32)InChIKey
VBIROVZZTAQFJO-UHFFFAOYSA-NSynonyms
C1=CC(=CC(=C1)C(F)(F)F)CN2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC(=C(C=C4)F)Cl)N=N2
InChI=1SC20H13ClF4N6O2c2114713(4515(14)22)2716(32)93010261817(19(30)33)282931(18)81121312(611)20(2324)25h1710H89H2(H2732)
MFCD18170464
N(3chloro4fluorophenyl)2(7oxo3((3(trifluoromethyl)phenyl)methyl)triazolo(45d)pyrimidin6yl)acetamide
N(3chloro4fluorophenyl)2(7oxo3(3(trifluoromethyl)benzyl)37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
ZINC000040477155
ZINC40477155
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