Vitas-M small molecule compound
butan-2-yl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK007629
SMILES CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC(CC)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 C30H34ClNO4 MW 508.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO4/c1-5-15-35-24-13-9-21(10-14-24)28-27(30(34)36-18(3)6-2)19(4)32-25-16-22(17-26(33)29(25)28)20-7-11-23(31)12-8-20/h7-14,18,22,28,32H,5-6,15-17H2,1-4H3InChIKey
KMYVNIRAPYPYIF-UHFFFAOYSA-NSynonyms
butan2yl7(4chlorophenyl)2methyl5oxo4(4propoxyphenyl)145678hexahydroquinoline3carboxylate
butan2yl7(4chlorophenyl)2methyl5oxo4(4propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC(C)CC)C
CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC(CC)C
InChI=1SC30H34ClNO4c1515352413921(101424)2827(30(34)3618(3)62)19(4)32251622(1726(33)29(25)28)2071123(31)12820h71418222832H561517H214H3
MFCD01445758
STK007629
ZINC000004067923
ZINC000101641659
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