Vitas-M small molecule compound
propan-2-yl 4-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371836
SMILES COc1ccccc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC(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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-12(2)26-21(24)18-13(3)22-15-9-7-10-16(23)20(15)19(18)14-8-5-6-11-17(14)25-4/h5-6,8,11-12,19,22H,7,9-10H2,1-4H3InChIKey
INJIMHDRRDUDFB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OC)C(=O)OC(C)C
InChI=1SC21H25NO4c112(2)2621(24)1813(3)2215971016(23)20(15)19(18)148561117(14)254h56811121922H7910H214H3
MFCD00619512
propan2yl4(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000019315071
ZINC000019315074
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