Vitas-M small molecule compound
cyclopentyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK089435
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1)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 C28H31NO5S MW 493.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5S/c1-16-25(28(31)34-18-7-4-5-8-18)26(20-15-19(32-2)10-11-23(20)33-3)27-21(29-16)13-17(14-22(27)30)24-9-6-12-35-24/h6,9-12,15,17-18,26,29H,4-5,7-8,13-14H2,1-3H3InChIKey
JUGMOJUSEPIIQE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC(=C4)OC)OC)C(=O)OC5CCCC5
COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1)OC
cyclopentyl4(25dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(25dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO5Sc11625(28(31)3418745818)26(201519(322)101123(20)333)2721(2916)1317(1422(27)30)2496123524h69121517182629H45781314H213H3
MFCD02627322
STK089435
ZINC000001183905
ZINC000001183908
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