Vitas-M small molecule compound
1-(2-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
STK687105
SMILES N#CC1=C(n2cccc2)N(c2cccc(c2)F)C2=C(C31C(=O)N(c1c3cccc1)Cc1ccccc1F)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(26-13-4-6-15-29(26)41(34(36)44)22-23-10-3-5-14-28(23)38)27(21-39)33(40-16-7-8-17-40)42(30)25-12-9-11-24(37)18-25/h3-18H,19-20,22H2,1-2H3InChIKey
IVVSTXSFELNCRI-UHFFFAOYSA-NSynonyms
1(2fluorobenzyl)1(3fluorophenyl)77dimethyl25dioxo2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
1(3FLUOROPHENYL)1((2FLUOROPHENYL)METHYL)77DIMETHYL25DIOXO2PYRROL1YLSPIRO(68DIHYDROQUINOLINE43INDOLE)3CARBONITRILE
CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5F)C(=C(N2C6=CC(=CC=C6)F)N7C=CC=C7)C#N)C
InChI=1SC36H28F2N4O2c135(2)193032(31(43)2035)36(2613461529(26)41(34(36)44)222310351428(23)38)27(2139)33(4016781740)42(30)251291124(37)1825h318H192022H212H3
MFCD06617441
ZINC000098008183
ZINC000098008184
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