Vitas-M small molecule compound
methyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK021910
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1cccs1
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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 C25H27NO6S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO6S/c1-13-21(25(28)32-5)22(15-11-18(29-2)24(31-4)19(12-15)30-3)23-16(26-13)9-14(10-17(23)27)20-7-6-8-33-20/h6-8,11-12,14,22,26H,9-10H2,1-5H3InChIKey
KVNHNCWUJAKLRU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1cccs1
InChI=1SC25H27NO6Sc11321(25(28)325)22(151118(292)24(314)19(1215)303)2316(2613)914(1017(23)27)207683320h681112142226H910H215H3
methyl2methyl5oxo7(thiophen2yl)4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
methyl2methyl5oxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD02104982
STK021910
ZINC000001168529
ZINC000001168532
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