Vitas-M small molecule compound
pentyl 2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370764
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCCC)C(=O)CC(C2)(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 C27H37NO4 MW 439.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO4/c1-6-8-9-15-32-26(30)23-18(3)28-21-16-27(4,5)17-22(29)25(21)24(23)19-10-12-20(13-11-19)31-14-7-2/h10-13,24,28H,6-9,14-17H2,1-5H3InChIKey
BSKNHUYOLRAHTQ-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCCC)C(=O)CC(C2)(C)C)C
InChI=1SC27H37NO4c1689153226(30)2318(3)28211627(45)1722(29)25(21)24(23)19101220(131119)311472h10132428H691417H215H3
MFCD00325295
pentyl277trimethyl5oxo4(4propoxyphenyl)145678hexahydroquinoline3carboxylate
pentyl277trimethyl5oxo4(4propoxyphenyl)1468tetrahydroquinoline3carboxylate
ZINC000003146380
ZINC000003146381
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