Vitas-M small molecule compound
butan-2-yl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK027506
SMILES CCOc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC(CC)C)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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-6-18(3)36-30(33)27-19(4)31-25-16-22(20-8-12-23(34-5)13-9-20)17-26(32)29(25)28(27)21-10-14-24(15-11-21)35-7-2/h8-15,18,22,28,31H,6-7,16-17H2,1-5H3InChIKey
YUTOJLSLIOJTMJ-UHFFFAOYSA-NSynonyms
butan2yl4(4ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(4ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
CCOc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC(CC)C)C
InChI=1SC30H35NO5c1618(3)3630(33)2719(4)31251622(2081223(345)13920)1726(32)29(25)28(27)21101424(151121)3572h81518222831H671617H215H3
MFCD01446372
STK027506
ZINC000003639406
ZINC000035973786
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