Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK071096
SMILES CC1=C(C(=O)Nc2ccccc2C)C(C2=C(N1)CC(C)(C)CC2=O)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 C27H28N2O4 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-15-7-5-6-8-18(15)29-26(31)23-16(2)28-19-12-27(3,4)13-20(30)25(19)24(23)17-9-10-21-22(11-17)33-14-32-21/h5-11,24,28H,12-14H2,1-4H3,(H,29,31)InChIKey
SAVWQOLOEMTOGA-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)277trimethylN(2methylphenyl)5oxo145678hexahydroquinoline3carboxamide
4(13benzodioxol5yl)277trimethylN(2methylphenyl)5oxo1468tetrahydroquinoline3carboxamide
CC1=C(C(=O)Nc2ccccc2C)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc2c(c1)OCO2
CC1=CC=CC=C1NC(=O)C2=C(NC3=C(C2C4=CC5=C(C=C4)OCO5)C(=O)CC(C3)(C)C)C
InChI=1SC27H28N2O4c115756818(15)2926(31)2316(2)28191227(34)1320(30)25(19)24(23)179102122(1117)33143221h5112428H1214H214H3(H2931)
MFCD02104996
S(2HYDROXYPROPYL)LCYSTEINE
STK071096
ZINC000008934878
ZINC000018122279
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