Vitas-M small molecule compound
2-phenylethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402940
SMILES COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCc1ccccc1
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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 C31H31NO5S MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO5S/c1-19-28(31(34)37-14-13-20-8-5-4-6-9-20)29(21-11-12-25(35-2)26(18-21)36-3)30-23(32-19)16-22(17-24(30)33)27-10-7-15-38-27/h4-12,15,18,22,29,32H,13-14,16-17H2,1-3H3InChIKey
SQOPMRHBQJJUKC-UHFFFAOYSA-NSynonyms
2phenylethyl4(34dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenylethyl4(34dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)OCCC5=CC=CC=C5
InChI=1SC31H31NO5Sc11928(31(34)371413208546920)29(21111225(352)26(1821)363)3023(3219)1622(1724(30)33)27107153827h4121518222932H13141617H213H3
MFCD03370969
ZINC000001431225
ZINC000001431228
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