Vitas-M small molecule compound
methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK767067
SMILES COC(=O)c1nnn(c1C)c1ccc(cc1[N+](=O)[O-])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 C12H9F3N4O4 MW 330.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9F3N4O4/c1-6-10(11(20)23-2)16-17-18(6)8-4-3-7(12(13,14)15)5-9(8)19(21)22/h3-5H,1-2H3InChIKey
GWUFYLKNFGEXHJ-UHFFFAOYSA-NSynonyms
5METHYL1(2NITRO4TRIFLUOROMETHYLPHENYL)1H(123)TRIAZOLE4CARBOXYLICACIDMETHYLESTER
CC1=C(N=NN1C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C(=O)OC
COC(=O)c1nnn(c1C)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC12H9F3N4O4c1610(11(20)232)161718(6)8437(12(1314)15)59(8)19(21)22h35H12H3
methyl5methyl1(2nitro4(trifluoromethyl)phenyl)1H123triazole4carboxylate
METHYL5METHYL1(2NITRO4(TRIFLUOROMETHYL)PHENYL)TRIAZOLE4CARBOXYLATE
MFCD03036623
ZINC000000054283
ZINC00054283
ZINC54283
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