Vitas-M small molecule compound
methyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK099485
SMILES COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)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 C23H23NO4S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO4S/c1-13-20(23(26)28-3)22(19-8-5-9-29-19)21-17(24-13)11-15(12-18(21)25)14-6-4-7-16(10-14)27-2/h4-10,15,22,24H,11-12H2,1-3H3InChIKey
DYYRAFZHYKLLMU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=CC=C3)OC)C4=CC=CS4)C(=O)OC
COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)C(=O)OC)C
InChI=1SC23H23NO4Sc11320(23(26)283)22(198592919)2117(2413)1115(1218(21)25)1464716(1014)272h410152224H1112H213H3
methyl7(3methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl7(3methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD03489273
STK099485
ZINC000019848956
ZINC000019848959
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