Vitas-M small molecule compound
2-phenylethyl 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
STK402909
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1)OCCc1ccccc1
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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 C30H27NO5S MW 513.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO5S/c1-18-27(30(33)34-12-11-19-6-3-2-4-7-19)28(20-9-10-24-25(16-20)36-17-35-24)29-22(31-18)14-21(15-23(29)32)26-8-5-13-37-26/h2-10,13,16,21,28,31H,11-12,14-15,17H2,1H3InChIKey
IJORHJXTXLNJAK-UHFFFAOYSA-NSynonyms
2phenylethyl4(13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenylethyl4(13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCCC6=CC=CC=C6
InChI=1SC30H27NO5Sc11827(30(33)341211196324719)28(209102425(1620)36173524)2922(3118)1421(1523(29)32)2685133726h2101316212831H1112141517H21H3
MFCD03370943
ZINC000001438541
ZINC000001438544
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