Vitas-M small molecule compound
benzyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403094
SMILES COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccccc1
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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/c1-18-27(31(34)38-17-19-9-6-5-7-10-19)28(21-15-24(35-2)30(37-4)25(16-21)36-3)29-22(32-18)13-20(14-23(29)33)26-11-8-12-39-26/h5-12,15-16,20,28,32H,13-14,17H2,1-4H3InChIKey
BFRICJSRTZMJJG-UHFFFAOYSA-NSynonyms
benzyl2methyl5oxo7(thiophen2yl)4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
benzyl2methyl5oxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCC5=CC=CC=C5
InChI=1SC31H31NO6Sc11827(31(34)38171996571019)28(211524(352)30(374)25(1621)363)2922(3218)1320(1423(29)33)26118123926h5121516202832H131417H214H3
MFCD03371081
ZINC000001438838
ZINC000001438841
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