Vitas-M small molecule compound
5,7-dimethyl-6,8-dinitro-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-4H-chromen-4-one
Catalog ID
STL298491
SMILES O=c1cc(oc2c1c(C)c(c(c2[N+](=O)[O-])C)[N+](=O)[O-])C(C(C(C(F)F)(F)F)(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 C15H8F8N2O6 MW 464.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H8F8N2O6/c1-4-8-6(26)3-7(13(18,19)15(22,23)14(20,21)12(16)17)31-11(8)10(25(29)30)5(2)9(4)24(27)28/h3,12H,1-2H3InChIKey
PUYSEWGYYDLEKF-UHFFFAOYSA-NSynonyms
57dimethyl68dinitro2(11223344octafluorobutyl)4Hchromen4one
57dimethyl68dinitro2(11223344octafluorobutyl)chromen4one
CC1=C2C(=O)C=C(OC2=C(C(=C1(N+)(=O)(O))C)(N+)(=O)(O))C(C(C(C(F)F)(F)F)(F)F)(F)F
InChI=1SC15H8F8N2O6c1486(26)37(13(1819)15(2223)14(2021)12(16)17)3111(8)10(25(29)30)5(2)9(4)24(27)28h312H12H3
MFCD02626244
O=c1cc(oc2c1c(C)c(c(c2(N+)(=O)(O))C)(N+)(=O)(O))C(C(C(C(F)F)(F)F)(F)F)(F)F
ZINC000002323518
ZINC2323518
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