Vitas-M small molecule compound
methyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK373416
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc2c(c1)OCO2)C(=O)OC)C
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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 C26H25NO6 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO6/c1-14-23(26(29)31-3)24(16-6-9-21-22(12-16)33-13-32-21)25-19(27-14)10-17(11-20(25)28)15-4-7-18(30-2)8-5-15/h4-9,12,17,24,27H,10-11,13H2,1-3H3InChIKey
HHOZRFFOHFQWQF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5)C(=O)OC
InChI=1SC26H25NO6c11423(26(29)313)24(16692122(1216)33133221)2519(2714)1017(1120(25)28)154718(302)8515h4912172427H101113H213H3
methyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD00718163
ZINC000019804948
ZINC000019804954
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