Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781419
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C2=C(C(=O)CCC2)C(C(=C1n1cccc1)C#N)c1ccc2c(c1)OCO2
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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 C28H22N4O6 MW 510.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O6/c1-36-18-8-9-20(22(14-18)32(34)35)31-21-5-4-6-23(33)27(21)26(17-7-10-24-25(13-17)38-16-37-24)19(15-29)28(31)30-11-2-3-12-30/h2-3,7-14,26H,4-6,16H2,1H3InChIKey
ZGDQDFUWFVRYMZ-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(4methoxy2nitrophenyl)5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)1(4methoxy2nitrophenyl)5oxo2pyrrol1yl4678tetrahydroquinoline3carbonitrile
COC1=CC(=C(C=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)CCC3)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1C2=C(C(=O)CCC2)C(C(=C1n1cccc1)C#N)c1ccc2c(c1)OCO2
InChI=1SC28H22N4O6c136188920(22(1418)32(34)35)312154623(33)27(21)26(177102425(1317)38163724)19(1529)28(31)3011231230h2371426H4616H21H3
MFCD06015031
ZINC000012420095
ZINC000012420098
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