Vitas-M small molecule compound
1-deoxy-1-{methyl[2-nitro-4-(trifluoromethyl)phenyl]amino}hexitol
Catalog ID
STK782731
SMILES OCC(C(C(C(CN(c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C)O)O)O)O
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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 C14H19F3N2O7 MW 384.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19F3N2O7/c1-18(5-10(21)12(23)13(24)11(22)6-20)8-3-2-7(14(15,16)17)4-9(8)19(25)26/h2-4,10-13,20-24H,5-6H2,1H3InChIKey
RXYPRVAOVPUNSX-UHFFFAOYSA-NSynonyms
1deoxy1(methyl(2nitro4(trifluoromethyl)phenyl)amino)hexitol
6(Nmethyl2nitro4(trifluoromethyl)anilino)hexane12345pentol
CN(CC(C(C(C(CO)O)O)O)O)C1=C(C=C(C=C1)C(F)(F)F)(N+)(=O)(O)
InChI=1SC14H19F3N2O7c118(510(21)12(23)13(24)11(22)620)8327(14(1516)17)49(8)19(25)26h2410132024H56H21H3
MFCD06616677
OCC(C(C(C(CN(c1ccc(cc1(N+)(=O)(O))C(F)(F)F)C)O)O)O)O
ZINC000004707520
ZINC000245256621
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