Vitas-M small molecule compound
6-methyl 3-(2-phenoxyethyl) 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404497
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(cc1)O)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 C28H29NO7 MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO7/c1-16-15-21-25(26(31)22(16)27(32)34-3)24(18-9-11-19(30)12-10-18)23(17(2)29-21)28(33)36-14-13-35-20-7-5-4-6-8-20/h4-12,16,22,24,29-30H,13-15H2,1-3H3InChIKey
IGVFMMYSNNMKMI-UHFFFAOYSA-NSynonyms
6methyl3(2phenoxyethyl)4(4hydroxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3O(2phenoxyethyl)4(4hydroxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)O)C(=O)C1C(=O)OC
InChI=1SC28H29NO7c116152125(26(31)22(16)27(32)343)24(1891119(30)121018)23(17(2)2921)28(33)36141335207546820h4121622242930H1315H213H3
MFCD06193831
ZINC000020561123
ZINC000239310265
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