Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403125
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)C(=O)OCCOC(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 C27H31NO5S MW 481.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO5S/c1-16(2)32-11-12-33-27(30)24-17(3)28-20-14-18(19-8-5-6-9-22(19)31-4)15-21(29)25(20)26(24)23-10-7-13-34-23/h5-10,13,16,18,26,28H,11-12,14-15H2,1-4H3InChIKey
JDZBMXGBJWSMSX-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl7(2methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
2propan2yloxyethyl7(2methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=CS4)C(=O)OCCOC(C)C
InChI=1SC27H31NO5Sc116(2)3211123327(30)2417(3)28201418(19856922(19)314)1521(29)25(20)26(24)23107133423h5101316182628H11121415H214H3
MFCD03146393
ZINC000002727228
ZINC000002727231
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