Vitas-M small molecule compound
1'-(3-chlorophenyl)-7',7'-dimethyl-2,5'-dioxo-1-(prop-2-yn-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
STK686747
SMILES C#CCN1c2ccccc2C2(C1=O)C(=C(n1cccc1)N(C1=C2C(=O)CC(C1)(C)C)c1cccc(c1)Cl)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 C32H25ClN4O2 MW 533.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25ClN4O2/c1-4-14-36-25-13-6-5-12-23(25)32(30(36)39)24(20-34)29(35-15-7-8-16-35)37(22-11-9-10-21(33)17-22)26-18-31(2,3)19-27(38)28(26)32/h1,5-13,15-17H,14,18-19H2,2-3H3InChIKey
OVQJTKHXVBXBPT-UHFFFAOYSA-NSynonyms
1(3chlorophenyl)77dimethyl25dioxo1(prop2yn1yl)2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
1(3CHLOROPHENYL)77DIMETHYL25DIOXO1PROP2YNYL2PYRROL1YLSPIRO(68DIHYDROQUINOLINE43INDOLE)3CARBONITRILE
CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)CC#C)C(=C(N2C5=CC(=CC=C5)Cl)N6C=CC=C6)C#N)C
InChI=1SC32H25ClN4O2c1414362513651223(25)32(30(36)39)24(2034)29(3515781635)37(221191021(33)1722)261831(23)1927(38)28(26)32h15131517H141819H223H3
MFCD06017405
ZINC000098008051
ZINC000098008052
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