Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780721
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1cccc(c1C)Cl
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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 C30H26ClN3O3 MW 512.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O3/c1-18-21(31)7-6-8-22(18)34-23-14-30(2,3)15-24(35)28(23)27(19-9-10-25-26(13-19)37-17-36-25)20(16-32)29(34)33-11-4-5-12-33/h4-13,27H,14-15,17H2,1-3H3InChIKey
AWVWZZBOXRXXQL-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1(3chloro2methylphenyl)77dimethyl5oxo2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13BENZODIOXOL5YL)1(3CHLORO2METHYLPHENYL)77DIMETHYL5OXO2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)CC(C3)(C)C
InChI=1SC30H26ClN3O3c11821(31)76822(18)34231430(23)1524(35)28(23)27(199102526(1319)37173625)20(1632)29(34)3311451233h41327H141517H213H3
MFCD06013554
ZINC000001432011
ZINC000001432012
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