Vitas-M small molecule compound

4-(3-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK780712
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccc(c1)F)C(=O)CC(C2)(C)C)c1cccc(c1)C(F)(F)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 C29H23F4N3O MW 505.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23F4N3O/c1-28(2)15-23-26(24(37)16-28)25(18-7-5-9-20(30)13-18)22(17-34)27(35-11-3-4-12-35)36(23)21-10-6-8-19(14-21)29(31,32)33/h3-14,25H,15-16H2,1-2H3
InChIKey
AWKRWGUWPSOMEJ-UHFFFAOYSA-N
Synonyms

4(3fluorophenyl)77dimethyl5oxo2(1Hpyrrol1yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
4(3FLUOROPHENYL)77DIMETHYL5OXO2PYRROL1YL1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N4C=CC=C4)C#N)C5=CC(=CC=C5)F)C(=O)C1)C
InChI=1SC29H23F4N3Oc128(2)152326(24(37)1628)25(1875920(30)1318)22(1734)27(3511341235)36(23)21106819(1421)29(3132)33h31425H1516H212H3
MFCD06013545
ZINC000012402331
ZINC000012402332

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Available files

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