Vitas-M small molecule compound
1'-(4-fluorophenyl)-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
STK782299
SMILES C#CCN1c2ccccc2C2(C1=O)C(=C(n1cccc1)N(C1=C2C(=O)CC(C1)(C)C)c1ccc(cc1)F)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 C32H25FN4O2 MW 516.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25FN4O2/c1-4-15-36-25-10-6-5-9-23(25)32(30(36)39)24(20-34)29(35-16-7-8-17-35)37(22-13-11-21(33)12-14-22)26-18-31(2,3)19-27(38)28(26)32/h1,5-14,16-17H,15,18-19H2,2-3H3InChIKey
KIXOCNVZBDPMHD-UHFFFAOYSA-NSynonyms
1(4fluorophenyl)77dimethyl25dioxo1(prop2yn1yl)2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
1(4FLUOROPHENYL)77DIMETHYL25DIOXO1PROP2YNYL2PYRROL1YLSPIRO(68DIHYDROQUINOLINE43INDOLE)3CARBONITRILE
CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)CC#C)C(=C(N2C5=CC=C(C=C5)F)N6C=CC=C6)C#N)C
InChI=1SC32H25FN4O2c141536251065923(25)32(30(36)39)24(2034)29(3516781735)37(22131121(33)121422)261831(23)1927(38)28(26)32h15141617H151819H223H3
MFCD06017377
ZINC000012402254
ZINC000012402255
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