Vitas-M small molecule compound
6-methyl 3-(2-phenoxyethyl) 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404498
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(cc1)C)C(=C(N2)C)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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-17-10-12-20(13-11-17)25-24(29(33)36-15-14-35-21-8-6-5-7-9-21)19(3)30-22-16-18(2)23(28(32)34-4)27(31)26(22)25/h5-13,18,23,25,30H,14-16H2,1-4H3InChIKey
ZBMVFYOOFTYJSJ-UHFFFAOYSA-NSynonyms
6methyl3(2phenoxyethyl)27dimethyl4(4methylphenyl)5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3O(2phenoxyethyl)27dimethyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)C)C(=O)C1C(=O)OC
InChI=1SC29H31NO6c117101220(131117)2524(29(33)36151435218657921)19(3)30221618(2)23(28(32)344)27(31)26(22)25h51318232530H1416H214H3
MFCD04226251
ZINC000004787337
ZINC000004787352
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