Vitas-M small molecule compound
4-{(1E)-3-[(2-chloro-6-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenyl naphthalene-1-carboxylate
Catalog ID
STK015347
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1cccc2c1cccc2)/C(=O)Nc1c(C)cccc1Cl
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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 C29H21ClN2O4 MW 496.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O4/c1-18-7-5-12-24(30)27(18)32-28(33)21(17-31)15-19-13-14-25(26(16-19)35-2)36-29(34)23-11-6-9-20-8-3-4-10-22(20)23/h3-16H,1-2H3,(H,32,33)/b21-15+InChIKey
HHXWDUGEGUIRQY-RCCKNPSSSA-NSynonyms
(4((E)3(2CHLORO6METHYLANILINO)2CYANO3OXOPROP1ENYL)2METHOXYPHENYL)NAPHTHALENE1CARBOXYLATE
4((1E)3((2CHLORO6METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2METHOXYPHENYLNAPHTHALENE1CARBOXYLATE
CC1=C(C(=CC=C1)Cl)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)OC)C#N
InChI=1SC29H21ClN2O4c118751224(30)27(18)3228(33)21(1731)1519131425(26(1619)352)3629(34)231169208341022(20)23h316H12H3(H3233)b2115+
MFCD03032575
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1cccc2c1cccc2)C(=O)Nc1c(C)cccc1Cl
STK015347
ZINC000013940120
ZINC13940120
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