Vitas-M small molecule compound
propan-2-yl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK028391
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccn1)C(=O)OC(C)C)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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c1-15(2)32-26(30)23-16(3)28-21-13-18(17-8-10-19(31-4)11-9-17)14-22(29)24(21)25(23)20-7-5-6-12-27-20/h5-12,15,18,25,28H,13-14H2,1-4H3InChIKey
LMVYDSZGXJTDGF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=N4)C(=O)OC(C)C
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccn1)C(=O)OC(C)C)C
InChI=1SC26H28N2O4c115(2)3226(30)2316(3)28211318(1781019(314)11917)1422(29)24(21)25(23)20756122720h51215182528H1314H214H3
MFCD01446352
propan2yl7(4methoxyphenyl)2methyl5oxo4(pyridin2yl)145678hexahydroquinoline3carboxylate
propan2yl7(4methoxyphenyl)2methyl5oxo4pyridin2yl4678tetrahydro1Hquinoline3carboxylate
STK028391
ZINC000000848068
ZINC000000848071
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