Vitas-M small molecule compound
1'-(5-bromopyridin-2-yl)-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
STK687454
SMILES N#CC1=C(n2cccc2)N(c2ccc(cn2)Br)C2=C(C31C(=O)Nc1c3cccc1)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 C28H22BrN5O2 MW 540.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrN5O2/c1-27(2)13-21-24(22(35)14-27)28(18-7-3-4-8-20(18)32-26(28)36)19(15-30)25(33-11-5-6-12-33)34(21)23-10-9-17(29)16-31-23/h3-12,16H,13-14H2,1-2H3,(H,32,36)InChIKey
WIQKGSGSYBXKPI-UHFFFAOYSA-NSynonyms
1(5bromopyridin2yl)77dimethyl25dioxo2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
1(5bromopyridin2yl)77dimethyl25dioxo2pyrrol1ylspiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4NC3=O)C(=C(N2C5=NC=C(C=C5)Br)N6C=CC=C6)C#N)C
InChI=1SC28H22BrN5O2c127(2)132124(22(35)1427)28(18734820(18)3226(28)36)19(1530)25(3311561233)34(21)2310917(29)163123h31216H1314H212H3(H3236)
MFCD06618885
ZINC000098008318
ZINC000098008319
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