Vitas-M small molecule compound
butan-2-yl 4-[4-(acetyloxy)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK096009
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)OC)C
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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 C30H33NO6 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO6/c1-6-17(2)36-30(34)27-18(3)31-25-15-22(20-7-11-23(35-5)12-8-20)16-26(33)29(25)28(27)21-9-13-24(14-10-21)37-19(4)32/h7-14,17,22,28,31H,6,15-16H2,1-5H3InChIKey
MHANWIIDIMKKSF-UHFFFAOYSA-NSynonyms
butan2yl4(4(acetyloxy)phenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(4acetyloxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)OC)C
InChI=1SC30H33NO6c1617(2)3630(34)2718(3)31251522(2071123(355)12820)1626(33)29(25)28(27)2191324(141021)3719(4)32h71417222831H61516H215H3
MFCD01445755
STK096009
ZINC000000666990
ZINC000035973760
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