Vitas-M small molecule compound
1-(4-fluorobenzyl)-1'-(3-fluorophenyl)-7',7'-dimethyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK687309
SMILES N#CC1=C(n2cccc2)N(c2cccc(c2)F)C2=C(C31C(=O)N(c1c3cccc1)Cc1ccc(cc1)F)C(=O)CC(C2)(C)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 C36H28F2N4O2 MW 586.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28F2N4O2/c1-35(2)19-30-32(31(43)20-35)36(27-10-3-4-11-29(27)41(34(36)44)22-23-12-14-24(37)15-13-23)28(21-39)33(40-16-5-6-17-40)42(30)26-9-7-8-25(38)18-26/h3-18H,19-20,22H2,1-2H3InChIKey
PEGHGPRCYUFLGS-UHFFFAOYSA-NSynonyms
1(3FLUOROPHENYL)1((4FLUOROPHENYL)METHYL)77DIMETHYL25DIOXO2PYRROL1YLSPIRO(68DIHYDROQUINOLINE43INDOLE)3CARBONITRILE
1(4fluorobenzyl)1(3fluorophenyl)77dimethyl25dioxo2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)F)C(=C(N2C6=CC(=CC=C6)F)N7C=CC=C7)C#N)C
InChI=1SC36H28F2N4O2c135(2)193032(31(43)2035)36(2710341129(27)41(34(36)44)2223121424(37)151323)28(2139)33(4016561740)42(30)2697825(38)1826h318H192022H212H3
MFCD06618294
ZINC000098008235
ZINC000098008236
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