Vitas-M small molecule compound
5-{(1E)-2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenyl naphthalene-1-carboxylate
Catalog ID
STK522742
SMILES N#C/C(=C\c1ccc(c(c1)OC(=O)c1cccc2c1cccc2)OC)/C(=O)Nc1cc(Cl)cc(c1)Cl
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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 C28H18Cl2N2O4 MW 517.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18Cl2N2O4/c1-35-25-10-9-17(11-19(16-31)27(33)32-22-14-20(29)13-21(30)15-22)12-26(25)36-28(34)24-8-4-6-18-5-2-3-7-23(18)24/h2-15H,1H3,(H,32,33)/b19-11+InChIKey
SDNUFXLYYIXPTD-YBFXNURJSA-NSynonyms
(5((E)2CYANO3(35DICHLOROANILINO)3OXOPROP1ENYL)2METHOXYPHENYL)NAPHTHALENE1CARBOXYLATE
5((1E)2cyano3((35dichlorophenyl)amino)3oxoprop1en1yl)2methoxyphenylnaphthalene1carboxylate
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC(=O)C3=CC=CC4=CC=CC=C43
InChI=1SC28H18Cl2N2O4c1352510917(1119(1631)27(33)32221420(29)1321(30)1522)1226(25)3628(34)2484618523723(18)24h215H1H3(H3233)b1911+
MFCD03155090
N#CC(=Cc1ccc(c(c1)OC(=O)c1cccc2c1cccc2)OC)C(=O)Nc1cc(Cl)cc(c1)Cl
ZINC000012585802
ZINC12585802
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