Vitas-M small molecule compound
cyclopentyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK059281
SMILES COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
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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/c1-16-24(28(31)34-18-8-4-5-9-18)25(19-10-6-11-22(32-2)27(19)33-3)26-20(29-16)14-17(15-21(26)30)23-12-7-13-35-23/h6-7,10-13,17-18,25,29H,4-5,8-9,14-15H2,1-3H3InChIKey
FINYWJVWWNXNIP-UHFFFAOYSA-NSynonyms
400068-12-4400068124
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C(=CC=C4)OC)OC)C(=O)OC5CCCC5
COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
cyclopentyl4(23dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(23dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO5Sc11624(28(31)3418845918)25(191061122(322)27(19)333)2620(2916)1417(1521(26)30)23127133523h67101317182529H45891415H213H3
MFCD02627368
STK059281
ZINC000002765642
ZINC000002765645
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