Vitas-M small molecule compound
5,7-dimethyl-6,8-dinitro-2-(trifluoromethyl)-4H-chromen-4-one
Catalog ID
STK806354
SMILES O=c1cc(oc2c1c(C)c(c(c2[N+](=O)[O-])C)[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 C12H7F3N2O6 MW 332.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7F3N2O6/c1-4-8-6(18)3-7(12(13,14)15)23-11(8)10(17(21)22)5(2)9(4)16(19)20/h3H,1-2H3InChIKey
KZULVICGFZWJNW-UHFFFAOYSA-NSynonyms
57dimethyl68dinitro2(trifluoromethyl)4Hchromen4one
57DIMETHYL68DINITRO2(TRIFLUOROMETHYL)CHROMEN4ONE
CC1=C2C(=O)C=C(OC2=C(C(=C1(N+)(=O)(O))C)(N+)(=O)(O))C(F)(F)F
InChI=1SC12H7F3N2O6c1486(18)37(12(1314)15)2311(8)10(17(21)22)5(2)9(4)16(19)20h3H12H3
MFCD02626233
O=c1cc(oc2c1c(C)c(c(c2(N+)(=O)(O))C)(N+)(=O)(O))C(F)(F)F
ZINC000001299118
ZINC01299118
ZINC1299118
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