Vitas-M small molecule compound
(2E)-2-cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide
Catalog ID
STL371706
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C1CCCCC1)C)/C(=O)Nc1ccc(cc1)F
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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 C28H28FN3O MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28FN3O/c1-19-16-23(17-24(18-30)28(33)31-26-12-10-25(29)11-13-26)20(2)32(19)27-14-8-22(9-15-27)21-6-4-3-5-7-21/h8-17,21H,3-7H2,1-2H3,(H,31,33)/b24-17+InChIKey
OXFSUQHJCGKNMA-JJIBRWJFSA-NSynonyms
(2E)2cyano3(1(4cyclohexylphenyl)25dimethyl1Hpyrrol3yl)N(4fluorophenyl)prop2enamide
(E)2CYANO3(1(4CYCLOHEXYLPHENYL)25DIMETHYLPYRROL3YL)N(4FLUOROPHENYL)PROP2ENAMIDE
CC1=CC(=C(N1C2=CC=C(C=C2)C3CCCCC3)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)F
InChI=1SC28H28FN3Oc1191623(1724(1830)28(33)3126121025(29)111326)20(2)32(19)2714822(91527)216435721h81721H37H212H3(H3133)b2417+
MFCD02196845
ZINC000033397888
ZINC33397888
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