Vitas-M small molecule compound
4-[(E)-{2-[(3-fluorophenyl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK165845
SMILES COc1cc(/C=N/NC(=O)c2cccc(c2)F)ccc1OC(=O)c1ccc2c(c1)OCO2
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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 C23H17FN2O6 MW 436.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17FN2O6/c1-29-20-9-14(12-25-26-22(27)15-3-2-4-17(24)10-15)5-7-19(20)32-23(28)16-6-8-18-21(11-16)31-13-30-18/h2-12H,13H2,1H3,(H,26,27)/b25-12+InChIKey
DRXXNXVFKSJCOM-BRJLIKDPSA-NSynonyms
(4((E)((3fluorobenzoyl)hydrazinylidene)methyl)2methoxyphenyl)13benzodioxole5carboxylate
4((E)(2((3FLUOROPHENYL)CARBONYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL13BENZODIOXOLE5CARBOXYLATE
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)F)OC(=O)C3=CC4=C(C=C3)OCO4
COc1cc(C=NNC(=O)c2cccc(c2)F)ccc1OC(=O)c1ccc2c(c1)OCO2
InChI=1SC23H17FN2O6c12920914(12252622(27)1532417(24)1015)5719(20)3223(28)16681821(1116)31133018h212H13H21H3(H2627)b2512+
MFCD01065821
ZINC000009846733
ZINC33615681
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