Vitas-M small molecule compound
ethyl 5-methyl-7-(3-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK232188
SMILES CCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)[N+](=O)[O-])nc(n2)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 C16H14F3N5O4 MW 397.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3N5O4/c1-3-28-13(25)11-8(2)20-15-21-14(16(17,18)19)22-23(15)12(11)9-5-4-6-10(7-9)24(26)27/h4-7,12H,3H2,1-2H3,(H,20,21,22)InChIKey
SVPPHCWUCSNZRW-UHFFFAOYSA-NSynonyms
879615-63-1879615631
CCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)(N+)(=O)(O))nc(n2)C(F)(F)F
CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC(=CC=C3)(N+)(=O)(O))C(F)(F)F)C
ethyl5methyl7(3nitrophenyl)2(trifluoromethyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
ETHYL5METHYL7(3NITROPHENYL)2(TRIFLUOROMETHYL)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ethyl5methyl7(3nitrophenyl)2(trifluoromethyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC16H14F3N5O4c132813(25)118(2)20152114(16(1718)19)2223(15)12(11)954610(79)24(26)27h4712H3H212H3(H202122)
MFCD07157515
ZINC000008770377
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