Vitas-M small molecule compound
1'-(5-bromopyridin-2-yl)-1-(2-fluorobenzyl)-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
STK687113
SMILES N#CC1=C(n2cccc2)N(c2ccc(cn2)Br)C2=C(C31C(=O)N(c1c3cccc1)Cc1ccccc1F)C(=O)CCC2
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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 C33H23BrFN5O2 MW 620.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23BrFN5O2/c34-22-14-15-29(37-19-22)40-27-12-7-13-28(41)30(27)33(24(18-36)31(40)38-16-5-6-17-38)23-9-2-4-11-26(23)39(32(33)42)20-21-8-1-3-10-25(21)35/h1-6,8-11,14-17,19H,7,12-13,20H2InChIKey
KOMKYWIKBVPXJG-UHFFFAOYSA-NSynonyms
1(5BROMOPYRIDIN2YL)1((2FLUOROPHENYL)METHYL)25DIOXO2PYRROL1YLSPIRO(78DIHYDRO6HQUINOLINE43INDOLE)3CARBONITRILE
1(5bromopyridin2yl)1(2fluorobenzyl)25dioxo2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
C1CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5F)C(=C(N2C6=NC=C(C=C6)Br)N7C=CC=C7)C#N
InChI=1SC33H23BrFN5O2c3422141529(371922)40271271328(41)30(27)33(24(1836)31(40)3816561738)239241126(23)39(32(33)42)20218131025(21)35h16811141719H7121320H2
MFCD06617452
ZINC000098008199
ZINC000098008200
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