Vitas-M small molecule compound
4-{(E)-[2-(N'-nitrocarbamimidoyl)hydrazinylidene]methyl}phenyl 2-chloro-4,5-difluorobenzoate
Catalog ID
STK393627
SMILES [O-][N+](=O)/N=C(/N/N=C/c1ccc(cc1)OC(=O)c1cc(F)c(cc1Cl)F)\N
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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 C15H10ClF2N5O4 MW 397.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10ClF2N5O4/c16-11-6-13(18)12(17)5-10(11)14(24)27-9-3-1-8(2-4-9)7-20-21-15(19)22-23(25)26/h1-7H,(H3,19,21,22)/b20-7+InChIKey
YCHOUFAXOGUDSL-IFRROFPPSA-NSynonyms
(4((E)((amino(nitramido)methylidene)hydrazinylidene)methyl)phenyl)2chloro45difluorobenzoate
(O)(N+)(=O)N=C(NN=Cc1ccc(cc1)OC(=O)c1cc(F)c(cc1Cl)F)N
4((1E)2(((1E)1AMINO2NITRO2AZAVINYL)AMINO)2AZAVINYL)PHENYL2CHLORO45DIFLUOROBENZOATE
4((E)(2(Nnitrocarbamimidoyl)hydrazinylidene)methyl)phenyl2chloro45difluorobenzoate
C1=CC(=CC=C1C=NN=C(N)N(N+)(=O)(O))OC(=O)C2=CC(=C(C=C2Cl)F)F
InChI=1SC15H10ClF2N5O4c1611613(18)12(17)510(11)14(24)279318(249)7202115(19)2223(25)26h17H(H3192122)b207+
MFCD01784355
ZINC000004512587
ZINC34379456
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