Vitas-M small molecule compound
2-phenoxyethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403023
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOc1ccccc1)OC
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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 C31H31NO6S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO6S/c1-19-28(31(34)38-14-13-37-21-8-5-4-6-9-21)29(23-18-22(35-2)11-12-26(23)36-3)30-24(32-19)16-20(17-25(30)33)27-10-7-15-39-27/h4-12,15,18,20,29,32H,13-14,16-17H2,1-3H3InChIKey
ZAQAFHUSOWOIMH-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(25dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl4(25dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC(=C4)OC)OC)C(=O)OCCOC5=CC=CC=C5
InChI=1SC31H31NO6Sc11928(31(34)38141337218546921)29(231822(352)111226(23)363)3024(3219)1620(1725(30)33)27107153927h4121518202932H13141617H213H3
MFCD03371036
ZINC000002788671
ZINC000002788674
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