Vitas-M small molecule compound
(2E)-2-cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(2-fluorophenyl)prop-2-enamide
Catalog ID
STK009894
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C1CCCCC1)C)/C(=O)Nc1ccccc1F
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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)31-27-11-7-6-10-26(27)29)20(2)32(19)25-14-12-22(13-15-25)21-8-4-3-5-9-21/h6-7,10-17,21H,3-5,8-9H2,1-2H3,(H,31,33)/b24-17+InChIKey
QKPSPPUCHGFKSQ-JJIBRWJFSA-NSynonyms
(2E)2CYANO3(1(4CYCLOHEXYLPHENYL)25DIMETHYL1HPYRROL3YL)N(2FLUOROPHENYL)PROP2ENAMIDE
(E)2CYANO3(1(4CYCLOHEXYLPHENYL)25DIMETHYLPYRROL3YL)N(2FLUOROPHENYL)PROP2ENAMIDE
CC1=CC(=C(N1C2=CC=C(C=C2)C3CCCCC3)C)C=C(C#N)C(=O)NC4=CC=CC=C4F
InChI=1SC28H28FN3Oc1191623(1724(1830)28(33)312711761026(27)29)20(2)32(19)25141222(131525)218435921h67101721H3589H212H3(H3133)b2417+
MFCD03306282
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C1CCCCC1)C)C(=O)Nc1ccccc1F
STK009894
ZINC000008916871
ZINC08916871
ZINC8916871
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