Vitas-M small molecule compound
dimethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776126
SMILES COC(=O)C1C(=O)C2=C(CC1c1cccs1)NC(=C(C2c1cc(OC)c(c(c1)OC)OC)C(=O)OC)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 C27H29NO8S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO8S/c1-13-20(26(30)35-5)21(14-10-17(32-2)25(34-4)18(11-14)33-3)23-16(28-13)12-15(19-8-7-9-37-19)22(24(23)29)27(31)36-6/h7-11,15,21-22,28H,12H2,1-6H3InChIKey
JYEVLAIIFGOVMB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OC)C3=CC=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC
dimethyl2methyl5oxo7(thiophen2yl)4(345trimethoxyphenyl)145678hexahydroquinoline36dicarboxylate
dimethyl2methyl5oxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC27H29NO8Sc11320(26(30)355)21(141017(322)25(344)18(1114)333)2316(2813)1215(198793719)22(24(23)29)27(31)366h71115212228H12H216H3
MFCD05258528
ZINC000019857955
ZINC000217604795
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