Vitas-M small molecule compound
5-oxo-2-(1H-pyrrol-1-yl)-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK783509
SMILES N#CC1=C(OC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CCC2)n1cccc1
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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 C21H15F3N2O2 MW 384.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N2O2/c22-21(23,24)14-8-6-13(7-9-14)18-15(12-25)20(26-10-1-2-11-26)28-17-5-3-4-16(27)19(17)18/h1-2,6-11,18H,3-5H2InChIKey
RASBYVAWECNCEF-UHFFFAOYSA-NSynonyms
5oxo2(1Hpyrrol1yl)4(4(trifluoromethyl)phenyl)5678tetrahydro4Hchromene3carbonitrile
5oxo2pyrrol1yl4(4(trifluoromethyl)phenyl)4678tetrahydrochromene3carbonitrile
C1CC2=C(C(C(=C(O2)N3C=CC=C3)C#N)C4=CC=C(C=C4)C(F)(F)F)C(=O)C1
InChI=1SC21H15F3N2O2c2221(2324)148613(7914)1815(1225)20(2610121126)281753416(27)19(17)18h1261118H35H2
MFCD06618334
ZINC000004751373
ZINC000004751374
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