Vitas-M small molecule compound
2-methylpropyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK098407
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C)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 C27H31NO5S MW 481.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO5S/c1-15(2)14-33-27(30)24-16(3)28-20-11-17(23-7-6-10-34-23)12-21(29)26(20)25(24)19-13-18(31-4)8-9-22(19)32-5/h6-10,13,15,17,25,28H,11-12,14H2,1-5H3InChIKey
ZYGXZSCGUCWKMF-UHFFFAOYSA-NSynonyms
2methylpropyl4(25dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methylpropyl4(25dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC(=C4)OC)OC)C(=O)OCC(C)C
COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C)OC
InChI=1SC27H31NO5Sc115(2)143327(30)2416(3)28201117(2376103423)1221(29)26(20)25(24)191318(314)8922(19)325h6101315172528H111214H215H3
MFCD02627284
STK098407
ZINC000001456282
ZINC000001456285
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