Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl naphthalene-1-carboxylate
Catalog ID
STK522764
SMILES CCOc1cc(ccc1OC(=O)c1cccc2c1cccc2)/C=C(/C(=O)Nc1ccccc1F)\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 C29H21FN2O4 MW 480.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN2O4/c1-2-35-27-17-19(16-21(18-31)28(33)32-25-13-6-5-12-24(25)30)14-15-26(27)36-29(34)23-11-7-9-20-8-3-4-10-22(20)23/h3-17H,2H2,1H3,(H,32,33)/b21-16+InChIKey
ZDUYBAISHSNIQL-LTGZKZEYSA-NSynonyms
(4((E)2CYANO3(2FLUOROANILINO)3OXOPROP1ENYL)2ETHOXYPHENYL)NAPHTHALENE1CARBOXYLATE
4((1E)2cyano3((2fluorophenyl)amino)3oxoprop1en1yl)2ethoxyphenylnaphthalene1carboxylate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2F)OC(=O)C3=CC=CC4=CC=CC=C43
CCOc1cc(ccc1OC(=O)c1cccc2c1cccc2)C=C(C(=O)Nc1ccccc1F)C#N
InChI=1SC29H21FN2O4c1235271719(1621(1831)28(33)322513651224(25)30)141526(27)3629(34)231179208341022(20)23h317H2H21H3(H3233)b2116+
MFCD03154986
ZINC000003231354
ZINC03231354
ZINC3231354
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