Vitas-M small molecule compound
2-methylpropyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK024741
SMILES COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C
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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 C28H33NO6S MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO6S/c1-15(2)14-35-28(31)24-16(3)29-19-10-17(23-8-7-9-36-23)11-20(30)26(19)25(24)18-12-21(32-4)27(34-6)22(13-18)33-5/h7-9,12-13,15,17,25,29H,10-11,14H2,1-6H3InChIKey
KRRRUTIPWDHYTP-UHFFFAOYSA-NSynonyms
2methylpropyl2methyl5oxo7(thiophen2yl)4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
2methylpropyl2methyl5oxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCC(C)C
COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C
InChI=1SC28H33NO6Sc115(2)143528(31)2416(3)29191017(238793623)1120(30)26(19)25(24)181221(324)27(346)22(1318)335h79121315172529H101114H216H3
MFCD02627285
STK024741
ZINC000000717703
ZINC000000717706
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