Vitas-M small molecule compound
2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403113
SMILES COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOc1ccccc1
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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/c1-19-27(31(34)38-15-14-37-21-9-5-4-6-10-21)28(22-11-7-12-25(35-2)30(22)36-3)29-23(32-19)17-20(18-24(29)33)26-13-8-16-39-26/h4-13,16,20,28,32H,14-15,17-18H2,1-3H3InChIKey
AUVQOHGWBRWNNM-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(23dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl4(23dimethoxyphenyl)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=1SC31H31NO6Sc11927(31(34)381514372195461021)28(221171225(352)30(22)363)2923(3219)1720(1824(29)33)26138163926h41316202832H14151718H213H3
MFCD03371090
ZINC000002772177
ZINC000002772180
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