Vitas-M small molecule compound
1-methyl-1'-(3-nitrophenyl)-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK783059
SMILES N#CC1=C(n2cccc2)N(c2cccc(c2)[N+](=O)[O-])C2=C(C31c1ccccc1N(C3=O)C)C(=O)CCC2
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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 C28H21N5O4 MW 491.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O4/c1-30-22-11-3-2-10-20(22)28(27(30)35)21(17-29)26(31-14-4-5-15-31)32(23-12-7-13-24(34)25(23)28)18-8-6-9-19(16-18)33(36)37/h2-6,8-11,14-16H,7,12-13H2,1H3InChIKey
CEJNRDKJTPZQJO-UHFFFAOYSA-NSynonyms
1methyl1(3nitrophenyl)25dioxo2(1Hpyrrol1yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
1METHYL1(3NITROPHENYL)25DIOXO2PYRROL1YLSPIRO(78DIHYDRO6HQUINOLINE43INDOLE)3CARBONITRILE
CN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)C5=CC(=CC=C5)(N+)(=O)(O))N6C=CC=C6)C#N
InChI=1SC28H21N5O4c1302211321020(22)28(27(30)35)21(1729)26(3114451531)32(231271324(34)25(23)28)1886919(1618)33(36)37h268111416H71213H21H3
MFCD06617453
N#CC1=C(n2cccc2)N(c2cccc(c2)(N+)(=O)(O))C2=C(C31c1ccccc1N(C3=O)C)C(=O)CCC2
ZINC000012416861
ZINC000012416862
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