Vitas-M small molecule compound
propyl 4-(2-butoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK096040
SMILES CCCCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OCCC)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 C32H39NO6 MW 533.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39NO6/c1-6-8-16-38-26-12-10-9-11-23(26)30-29(32(35)39-15-7-2)20(3)33-24-17-22(18-25(34)31(24)30)21-13-14-27(36-4)28(19-21)37-5/h9-14,19,22,30,33H,6-8,15-18H2,1-5H3InChIKey
ZCLGIQHUEBVUQB-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OCCC)C
CCCCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OCCC)C
InChI=1SC32H39NO6c168163826121091123(26)3029(32(35)391572)20(3)33241722(1825(34)31(24)30)21131427(364)28(1921)375h91419223033H681518H215H3
MFCD02224226
propyl4(2butoxyphenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(2butoxyphenyl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK096040
ZINC000006162086
ZINC000006162110
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