Vitas-M small molecule compound
2-phenoxyethyl 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
STK402929
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1)OCCOc1ccccc1
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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 C30H27NO6S MW 529.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO6S/c1-18-27(30(33)35-12-11-34-21-6-3-2-4-7-21)28(19-9-10-24-25(16-19)37-17-36-24)29-22(31-18)14-20(15-23(29)32)26-8-5-13-38-26/h2-10,13,16,20,28,31H,11-12,14-15,17H2,1H3InChIKey
FVDCKXRHQAUPHG-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl4(13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCCOC6=CC=CC=C6
InChI=1SC30H27NO6Sc11827(30(33)35121134216324721)28(199102425(1619)37173624)2922(3118)1420(1523(29)32)2685133826h2101316202831H1112141517H21H3
MFCD03370959
ZINC000097939715
ZINC000097939718
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