Vitas-M small molecule compound
5-[(1E)-2-cyano-3-{[2-(methoxycarbonyl)phenyl]amino}-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
Catalog ID
STK522835
SMILES N#C/C(=C\c1ccc(c(c1)OC(=O)c1cccc2c1cccc2)OC)/C(=O)Nc1ccccc1C(=O)OC
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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 C30H22N2O6 MW 506.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O6/c1-36-26-15-14-19(16-21(18-31)28(33)32-25-13-6-5-11-24(25)29(34)37-2)17-27(26)38-30(35)23-12-7-9-20-8-3-4-10-22(20)23/h3-17H,1-2H3,(H,32,33)/b21-16+InChIKey
XUYGOTYYCLDIGO-LTGZKZEYSA-NSynonyms
(5((E)2CYANO3(2METHOXYCARBONYLANILINO)3OXOPROP1ENYL)2METHOXYPHENYL)NAPHTHALENE1CARBOXYLATE
5((1E)2cyano3((2(methoxycarbonyl)phenyl)amino)3oxoprop1en1yl)2methoxyphenylnaphthalene1carboxylate
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)OC(=O)C3=CC=CC4=CC=CC=C43
InChI=1SC30H22N2O6c13626151419(1621(1831)28(33)322513651124(25)29(34)372)1727(26)3830(35)231279208341022(20)23h317H12H3(H3233)b2116+
MFCD03155085
N#CC(=Cc1ccc(c(c1)OC(=O)c1cccc2c1cccc2)OC)C(=O)Nc1ccccc1C(=O)OC
ZINC000001439565
ZINC01439565
ZINC1439565
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