Vitas-M small molecule compound
3-(4-methoxybenzyl) 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404715
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(s1)C)C(=C(N2)C)C(=O)OCc1ccc(cc1)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 C27H29NO6S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6S/c1-14-12-19-23(25(29)21(14)26(30)33-5)24(20-11-6-15(2)35-20)22(16(3)28-19)27(31)34-13-17-7-9-18(32-4)10-8-17/h6-11,14,21,24,28H,12-13H2,1-5H3InChIKey
RFRSVAWKJHIDGS-UHFFFAOYSA-NSynonyms
3(4methoxybenzyl)6methyl27dimethyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline36dicarboxylate
3O((4methoxyphenyl)methyl)6Omethyl27dimethyl4(5methylthiophen2yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=C(C=C3)OC)C4=CC=C(S4)C)C(=O)C1C(=O)OC
InChI=1SC27H29NO6Sc114121923(25(29)21(14)26(30)335)24(2011615(2)3520)22(16(3)2819)27(31)3413177918(324)10817h61114212428H1213H215H3
MFCD05993226
ZINC000004787413
ZINC000004787424
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