Vitas-M small molecule compound
4-[(E)-{2-[(4-fluorophenyl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK236114
SMILES COc1cc(/C=N/NC(=O)c2ccc(cc2)F)ccc1OC(=O)c1ccc(cc1)[N+](=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 C22H16FN3O6 MW 437.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O6/c1-31-20-12-14(13-24-25-21(27)15-3-7-17(23)8-4-15)2-11-19(20)32-22(28)16-5-9-18(10-6-16)26(29)30/h2-13H,1H3,(H,25,27)/b24-13+InChIKey
SMGCQBIEWTZMPH-ZMOGYAJESA-NSynonyms
(4((E)((4fluorobenzoyl)hydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((E)(2((4FLUOROPHENYL)CARBONYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL4NITROBENZOATE
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(C=NNC(=O)c2ccc(cc2)F)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H16FN3O6c131201214(13242521(27)153717(23)8415)21119(20)3222(28)165918(10616)26(29)30h213H1H3(H2527)b2413+
MFCD02193049
ZINC000009190160
ZINC83313821
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