Vitas-M small molecule compound
(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Catalog ID
STL383486
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)/C=C(/C(=O)Nc1ccc(cc1OC)[N+](=O)[O-])\C#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 C26H22ClN3O6 MW 507.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O6/c1-3-35-25-13-18(6-11-23(25)36-16-17-4-7-20(27)8-5-17)12-19(15-28)26(31)29-22-10-9-21(30(32)33)14-24(22)34-2/h4-14H,3,16H2,1-2H3,(H,29,31)/b19-12+InChIKey
AIJIEOHJLQVBFU-XDHOZWIPSA-NSynonyms
(2E)3(4((4chlorobenzyl)oxy)3ethoxyphenyl)2cyanoN(2methoxy4nitrophenyl)prop2enamide
(E)3(4((4chlorophenyl)methoxy)3ethoxyphenyl)2cyanoN(2methoxy4nitrophenyl)prop2enamide
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))OC)OCC3=CC=C(C=C3)Cl
CCOc1cc(ccc1OCc1ccc(cc1)Cl)C=C(C(=O)Nc1ccc(cc1OC)(N+)(=O)(O))C#N
InChI=1SC26H22ClN3O6c1335251318(61123(25)3616174720(27)8517)1219(1528)26(31)292210921(30(32)33)1424(22)342h414H316H212H3(H2931)b1912+
MFCD03217479
ZINC000022079048
ZINC22079048
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