Vitas-M small molecule compound
(2E)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Catalog ID
STL383487
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1Cl)/C(=O)Nc1ccc(cc1OC)[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 C25H20ClN3O6 MW 493.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O6/c1-33-23-13-19(29(31)32)8-9-21(23)28-25(30)18(14-27)11-16-7-10-22(24(12-16)34-2)35-15-17-5-3-4-6-20(17)26/h3-13H,15H2,1-2H3,(H,28,30)/b18-11+InChIKey
KVBNJFNIWGLXGF-WOJGMQOQSA-NSynonyms
(2E)3(4((2chlorobenzyl)oxy)3methoxyphenyl)2cyanoN(2methoxy4nitrophenyl)prop2enamide
(E)3(4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)2CYANON(2METHOXY4NITROPHENYL)PROP2ENAMIDE
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))OC)OCC3=CC=CC=C3Cl
InChI=1SC25H20ClN3O6c133231319(29(31)32)8921(23)2825(30)18(1427)111671022(24(1216)342)351517534620(17)26h313H15H212H3(H2830)b1811+
MFCD03155242
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1Cl)C(=O)Nc1ccc(cc1OC)(N+)(=O)(O)
ZINC000009140055
ZINC09140055
ZINC9140055
Check stock
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Check stock on Vitas-MAvailable files
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