Vitas-M small molecule compound
1'-(5-bromopyridin-2-yl)-2,5'-dioxo-1-(prop-2-en-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK687312
SMILES C=CCN1c2ccccc2C2(C1=O)C(=C(n1cccc1)N(C1=C2C(=O)CCC1)c1ccc(cn1)Br)C#N
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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 C29H22BrN5O2 MW 552.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrN5O2/c1-2-14-34-22-9-4-3-8-20(22)29(28(34)37)21(17-31)27(33-15-5-6-16-33)35(25-13-12-19(30)18-32-25)23-10-7-11-24(36)26(23)29/h2-6,8-9,12-13,15-16,18H,1,7,10-11,14H2InChIKey
IAQASUZEUUAYJA-UHFFFAOYSA-NSynonyms
1(5bromopyridin2yl)25dioxo1(prop2en1yl)2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
1(5BROMOPYRIDIN2YL)25DIOXO1PROP2ENYL2PYRROL1YLSPIRO(78DIHYDRO6HQUINOLINE43INDOLE)3CARBONITRILE
C=CCN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)C5=NC=C(C=C5)Br)N6C=CC=C6)C#N
InChI=1SC29H22BrN5O2c12143422943820(22)29(28(34)37)21(1731)27(3315561633)35(25131219(30)183225)231071124(36)26(23)29h26891213151618H17101114H2
MFCD06618298
ZINC000098008241
ZINC000098008242
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