Vitas-M small molecule compound
4-[(1E)-2-cyano-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl cyclohexanecarboxylate
Catalog ID
STK473404
SMILES CCOc1cc(ccc1OC(=O)C1CCCCC1)/C=C(/C(=O)NCCc1ccc(c(c1)OC)OC)\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 C29H34N2O6 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O6/c1-4-36-27-18-21(11-13-25(27)37-29(33)22-8-6-5-7-9-22)16-23(19-30)28(32)31-15-14-20-10-12-24(34-2)26(17-20)35-3/h10-13,16-18,22H,4-9,14-15H2,1-3H3,(H,31,32)/b23-16+InChIKey
UPVSSDHYNCJPIZ-XQNSMLJCSA-NSynonyms
(4((E)2cyano3(2(34dimethoxyphenyl)ethylamino)3oxoprop1enyl)2ethoxyphenyl)cyclohexanecarboxylate
4((1E)2(N(2(34DIMETHOXYPHENYL)ETHYL)CARBAMOYL)2CYANOVINYL)2ETHOXYPHENYLCYCLOHEXANECARBOXYLATE
4((1E)2cyano3((2(34dimethoxyphenyl)ethyl)amino)3oxoprop1en1yl)2ethoxyphenylcyclohexanecarboxylate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CC(=C(C=C2)OC)OC)OC(=O)C3CCCCC3
CCOc1cc(ccc1OC(=O)C1CCCCC1)C=C(C(=O)NCCc1ccc(c(c1)OC)OC)C#N
InChI=1SC29H34N2O6c1436271821(111325(27)3729(33)228657922)1623(1930)28(32)31151420101224(342)26(1720)353h1013161822H491415H213H3(H3132)b2316+
MFCD07090338
ZINC000020175834
ZINC20175834
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