Vitas-M small molecule compound
2-bromo-6-methoxy-4-{(E)-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]methyl}phenyl 4-methylbenzoate
Catalog ID
STK181705
SMILES COc1cc(/C=N/NC(=O)c2ccncc2)cc(c1OC(=O)c1ccc(cc1)C)Br
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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 C22H18BrN3O4 MW 468.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O4/c1-14-3-5-17(6-4-14)22(28)30-20-18(23)11-15(12-19(20)29-2)13-25-26-21(27)16-7-9-24-10-8-16/h3-13H,1-2H3,(H,26,27)/b25-13+InChIKey
XEMFFPUCPKQFTF-DHRITJCHSA-NSynonyms
(2bromo6methoxy4((E)(pyridine4carbonylhydrazinylidene)methyl)phenyl)4methylbenzoate
2BROMO6METHOXY4((E)(2(PYRIDIN4YLCARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL4METHYLBENZOATE
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=NNC(=O)C3=CC=NC=C3)OC
COc1cc(C=NNC(=O)c2ccncc2)cc(c1OC(=O)c1ccc(cc1)C)Br
InChI=1SC22H18BrN3O4c1143517(6414)22(28)302018(23)1115(1219(20)292)13252621(27)16792410816h313H12H3(H2627)b2513+
MFCD00848649
ZINC000009905941
ZINC96838922
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