Vitas-M small molecule compound
2,5'-dioxo-1-(prop-2-en-1-yl)-2'-(1H-pyrrol-1-yl)-1'-[4-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK687311
SMILES C=CCN1c2ccccc2C2(C1=O)C1=C(CCCC1=O)N(C(=C2C#N)n1cccc1)c1ccc(cc1)C(F)(F)F
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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 C31H23F3N4O2 MW 540.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23F3N4O2/c1-2-16-37-24-9-4-3-8-22(24)30(29(37)40)23(19-35)28(36-17-5-6-18-36)38(25-10-7-11-26(39)27(25)30)21-14-12-20(13-15-21)31(32,33)34/h2-6,8-9,12-15,17-18H,1,7,10-11,16H2InChIKey
QBLRXENRDUYGCQ-UHFFFAOYSA-NSynonyms
25dioxo1(prop2en1yl)2(1Hpyrrol1yl)1(4(trifluoromethyl)phenyl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
25DIOXO1PROP2ENYL2PYRROL1YL1(4(TRIFLUOROMETHYL)PHENYL)SPIRO(78DIHYDRO6HQUINOLINE43INDOLE)3CARBONITRILE
C=CCN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)C5=CC=C(C=C5)C(F)(F)F)N6C=CC=C6)C#N
InChI=1SC31H23F3N4O2c12163724943822(24)30(29(37)40)23(1935)28(3617561836)38(251071126(39)27(25)30)21141220(131521)31(3233)34h268912151718H17101116H2
MFCD06618296
ZINC000098008239
ZINC000098008240
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