Vitas-M small molecule compound
benzyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403047
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1)OCc1ccccc1
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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 C29H25NO5S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO5S/c1-17-26(29(32)33-15-18-6-3-2-4-7-18)27(19-9-10-23-24(14-19)35-16-34-23)28-21(30-17)12-20(13-22(28)31)25-8-5-11-36-25/h2-11,14,20,27,30H,12-13,15-16H2,1H3InChIKey
ITVBCLIQLYWMMA-UHFFFAOYSA-NSynonyms
benzyl4(13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl4(13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6
InChI=1SC29H25NO5Sc11726(29(32)3315186324718)27(199102324(1419)35163423)2821(3017)1220(1322(28)31)2585113625h21114202730H12131516H21H3
MFCD03145439
ZINC000019848842
ZINC000019848845
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