Vitas-M small molecule compound
pentyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370777
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)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 C26H35NO4 MW 425.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO4/c1-6-8-9-14-31-25(29)22-17(3)27-20-15-26(4,5)16-21(28)24(20)23(22)18-10-12-19(13-11-18)30-7-2/h10-13,23,27H,6-9,14-16H2,1-5H3InChIKey
GUZYPJMBECRBKG-UHFFFAOYSA-NSynonyms
295344-21-7295344217
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC)C(=O)CC(C2)(C)C)C
InChI=1SC26H35NO4c1689143125(29)2217(3)27201526(45)1621(28)24(20)23(22)18101219(131118)3072h10132327H691416H215H3
MFCD00325303
pentyl4(4ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(4ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002296712
ZINC000002296713
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