Vitas-M small molecule compound
4-methoxybenzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK091148
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccccc1)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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-17-23(26(30)32-16-18-10-12-20(31-4)13-11-18)24(19-8-6-5-7-9-19)25-21(28-17)14-27(2,3)15-22(25)29/h5-13,24,28H,14-16H2,1-4H3InChIKey
VSCKTDPFELJHJH-UHFFFAOYSA-NSynonyms
312527-58-5(4methoxyphenyl)methyl277trimethyl5oxo4phenyl1468tetrahydroquinoline3carboxylate
312527585
4methoxybenzyl277trimethyl5oxo4phenyl145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)(C)C
InChI=1SC27H29NO4c11723(26(30)321618101220(314)131118)24(198657919)2521(2817)1427(23)1522(25)29h5132428H1416H214H3
MFCD01814416
STK091148
ZINC000019762179
ZINC000019762184
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