Vitas-M small molecule compound
propan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372449
SMILES COc1cc(cc(c1O)Cl)C1C2=C(CC(CC2=O)c2ccccc2)NC(=C1C(=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 C27H28ClNO5 MW 481.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO5/c1-14(2)34-27(32)23-15(3)29-20-11-17(16-8-6-5-7-9-16)12-21(30)25(20)24(23)18-10-19(28)26(31)22(13-18)33-4/h5-10,13-14,17,24,29,31H,11-12H2,1-4H3InChIKey
KUQWWJYTNKBYGY-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OC(C)C
InChI=1SC27H28ClNO5c114(2)3427(32)2315(3)29201117(168657916)1221(30)25(20)24(23)181019(28)26(31)22(1318)334h510131417242931H1112H214H3
MFCD00771313
propan2yl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propan2yl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
ZINC000019880986
ZINC000019880998
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