Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl naphthalene-1-carboxylate
Catalog ID
STK522741
SMILES CCOc1cc(ccc1OC(=O)c1cccc2c1cccc2)/C=C(/C(=O)Nc1cc(Cl)cc(c1)Cl)\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 C29H20Cl2N2O4 MW 531.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20Cl2N2O4/c1-2-36-27-13-18(12-20(17-32)28(34)33-23-15-21(30)14-22(31)16-23)10-11-26(27)37-29(35)25-9-5-7-19-6-3-4-8-24(19)25/h3-16H,2H2,1H3,(H,33,34)/b20-12+InChIKey
DTONBCPRDAMADL-UDWIEESQSA-NSynonyms
(4((E)2CYANO3(35DICHLOROANILINO)3OXOPROP1ENYL)2ETHOXYPHENYL)NAPHTHALENE1CARBOXYLATE
4((1E)2cyano3((35dichlorophenyl)amino)3oxoprop1en1yl)2ethoxyphenylnaphthalene1carboxylate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC(=O)C3=CC=CC4=CC=CC=C43
CCOc1cc(ccc1OC(=O)c1cccc2c1cccc2)C=C(C(=O)Nc1cc(Cl)cc(c1)Cl)C#N
InChI=1SC29H20Cl2N2O4c1236271318(1220(1732)28(34)33231521(30)1422(31)1623)101126(27)3729(35)2595719634824(19)25h316H2H21H3(H3334)b2012+
MFCD03155217
ZINC000003232304
ZINC3232304
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