Vitas-M small molecule compound
3-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazine-6-carbonitrile
Catalog ID
STL440636
SMILES N#Cc1nn(c2ccc(cc2)C(F)(F)F)c(nc1=O)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 C12H7F3N4O MW 280.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7F3N4O/c1-7-17-11(20)10(6-16)18-19(7)9-4-2-8(3-5-9)12(13,14)15/h2-5H,1H3InChIKey
UQXSIVQJTXTWOR-UHFFFAOYSA-NSynonyms
3METHYL5OXO2(4(TRIFLUOROMETHYL)PHENYL)124TRIAZINE6CARBONITRILE
3methyl5oxo2(4(trifluoromethyl)phenyl)25dihydro124triazine6carbonitrile
CC1=NC(=O)C(=NN1C2=CC=C(C=C2)C(F)(F)F)C#N
InChI=1SC12H7F3N4Oc171711(20)10(616)1819(7)9428(359)12(1314)15h25H1H3
MFCD07773501
ZINC000005274200
ZINC5274200
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