Vitas-M small molecule compound
1'-(2-methyl-5-nitrophenyl)-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
STK687683
SMILES C=CCN1c2ccccc2C2(C1=O)C(=C(n1cccc1)N(C1=C2C(=O)CCC1)c1cc(ccc1C)[N+](=O)[O-])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 C31H25N5O4 MW 531.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O4/c1-3-15-34-24-10-5-4-9-22(24)31(30(34)38)23(19-32)29(33-16-6-7-17-33)35(25-11-8-12-27(37)28(25)31)26-18-21(36(39)40)14-13-20(26)2/h3-7,9-10,13-14,16-18H,1,8,11-12,15H2,2H3InChIKey
ISDHYCCWWLGPJC-UHFFFAOYSA-NSynonyms
1(2methyl5nitrophenyl)25dioxo1(prop2en1yl)2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
1(2METHYL5NITROPHENYL)25DIOXO1PROP2ENYL2PYRROL1YLSPIRO(78DIHYDRO6HQUINOLINE43INDOLE)3CARBONITRILE
C=CCN1c2ccccc2C2(C1=O)C(=C(n1cccc1)N(C1=C2C(=O)CCC1)c1cc(ccc1C)(N+)(=O)(O))C#N
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C3=C(C(=O)CCC3)C4(C5=CC=CC=C5N(C4=O)CC=C)C(=C2N6C=CC=C6)C#N
InChI=1SC31H25N5O4c131534241054922(24)31(30(34)38)23(1932)29(3316671733)35(251181227(37)28(25)31)261821(36(39)40)141320(26)2h3791013141618H18111215H22H3
MFCD06619458
ZINC000098008423
ZINC000098008424
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