Vitas-M small molecule compound
5,7-dimethyl-6,8-dinitro-2-(1,1,2,2-tetrafluoroethyl)-4H-chromen-4-one
Catalog ID
STK806356
SMILES O=c1cc(oc2c1c(C)c(c(c2[N+](=O)[O-])C)[N+](=O)[O-])C(C(F)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 C13H8F4N2O6 MW 364.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8F4N2O6/c1-4-8-6(20)3-7(13(16,17)12(14)15)25-11(8)10(19(23)24)5(2)9(4)18(21)22/h3,12H,1-2H3InChIKey
SYQNUHBMDREUHG-UHFFFAOYSA-NSynonyms
57dimethyl68dinitro2(1122tetrafluoroethyl)4Hchromen4one
57dimethyl68dinitro2(1122tetrafluoroethyl)chromen4one
CC1=C2C(=O)C=C(OC2=C(C(=C1(N+)(=O)(O))C)(N+)(=O)(O))C(C(F)F)(F)F
InChI=1SC13H8F4N2O6c1486(20)37(13(1617)12(14)15)2511(8)10(19(23)24)5(2)9(4)18(21)22h312H12H3
MFCD02626235
O=c1cc(oc2c1c(C)c(c(c2(N+)(=O)(O))C)(N+)(=O)(O))C(C(F)F)(F)F
ZINC000004311503
ZINC04311503
ZINC4311503
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