Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl cyclohexanecarboxylate
Catalog ID
STK473359
SMILES CCOc1cc(ccc1OC(=O)C1CCCCC1)/C=C(/C(=O)Nc1ccccc1OC)\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 C26H28N2O5 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5/c1-3-32-24-16-18(13-14-23(24)33-26(30)19-9-5-4-6-10-19)15-20(17-27)25(29)28-21-11-7-8-12-22(21)31-2/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,28,29)/b20-15+InChIKey
IHIDUQNDTIPEGV-HMMYKYKNSA-NSynonyms
(4((E)2cyano3(2methoxyanilino)3oxoprop1enyl)2ethoxyphenyl)cyclohexanecarboxylate
4((1E)2CYANO2(N(2METHOXYPHENYL)CARBAMOYL)VINYL)2ETHOXYPHENYLCYCLOHEXANECARBOXYLATE
4((1E)2cyano3((2methoxyphenyl)amino)3oxoprop1en1yl)2ethoxyphenylcyclohexanecarboxylate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2OC)OC(=O)C3CCCCC3
CCOc1cc(ccc1OC(=O)C1CCCCC1)C=C(C(=O)Nc1ccccc1OC)C#N
InChI=1SC26H28N2O5c1332241618(131423(24)3326(30)1995461019)1520(1727)25(29)282111781222(21)312h78111619H36910H212H3(H2829)b2015+
MFCD07088859
ZINC000019647292
ZINC19647292
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