Vitas-M small molecule compound
(2E)-2-cyano-N-(2,4-dimethylphenyl)-3-[1-(2-ethyl-6-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enamide
Catalog ID
STK099629
SMILES N#C/C(=C\c1cc(n(c1C)c1c(C)cccc1CC)C)/C(=O)Nc1ccc(cc1C)C
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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 C27H29N3O MW 411.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O/c1-7-22-10-8-9-18(3)26(22)30-20(5)14-23(21(30)6)15-24(16-28)27(31)29-25-12-11-17(2)13-19(25)4/h8-15H,7H2,1-6H3,(H,29,31)/b24-15+InChIKey
UAOWZJKOVPKXCL-BUVRLJJBSA-NSynonyms
(2E)2CYANON(24DIMETHYLPHENYL)3(1(2ETHYL6METHYLPHENYL)25DIMETHYL1HPYRROL3YL)PROP2ENAMIDE
(E)2CYANON(24DIMETHYLPHENYL)3(1(2ETHYL6METHYLPHENYL)25DIMETHYLPYRROL3YL)PROP2ENAMIDE
CCC1=CC=CC(=C1N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=C(C=C(C=C3)C)C)C)C
InChI=1SC27H29N3Oc1722108918(3)26(22)3020(5)1423(21(30)6)1524(1628)27(31)2925121117(2)1319(25)4h815H7H216H3(H2931)b2415+
MFCD03245283
N#CC(=Cc1cc(n(c1C)c1c(C)cccc1CC)C)C(=O)Nc1ccc(cc1C)C
STK099629
ZINC000004663760
ZINC04663760
ZINC4663760
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