Vitas-M small molecule compound

(2E)-3-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide

Catalog ID
STK522787
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)/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/c1-3-35-25-13-17(8-11-23(25)36-16-18-6-4-5-7-21(18)27)12-19(15-28)26(31)29-22-10-9-20(30(32)33)14-24(22)34-2/h4-14H,3,16H2,1-2H3,(H,29,31)/b19-12+
InChIKey
MMVYVLBXCDRYSB-XDHOZWIPSA-N
Synonyms

(2E)3(4((2chlorobenzyl)oxy)3ethoxyphenyl)2cyanoN(2methoxy4nitrophenyl)prop2enamide
(E)3(4((2CHLOROPHENYL)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=CC=C3Cl
CCOc1cc(ccc1OCc1ccccc1Cl)C=C(C(=O)Nc1ccc(cc1OC)(N+)(=O)(O))C#N
InChI=1SC26H22ClN3O6c1335251317(81123(25)361618645721(18)27)1219(1528)26(31)292210920(30(32)33)1424(22)342h414H316H212H3(H2931)b1912+
MFCD03155072
ZINC000012585753
ZINC12585753

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Available files

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