Vitas-M small molecule compound
butyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372297
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1)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 C31H37NO5 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO5/c1-6-7-15-36-30(34)27-20(2)32-23-17-31(3,4)18-24(33)29(23)28(27)22-13-14-25(26(16-22)35-5)37-19-21-11-9-8-10-12-21/h8-14,16,28,32H,6-7,15,17-19H2,1-5H3InChIKey
NSNKFNYSDIPHIJ-UHFFFAOYSA-NSynonyms
butyl4(3methoxy4phenylmethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
butyl4(4(benzyloxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)CC(C2)(C)C)C
InChI=1SC31H37NO5c167153630(34)2720(2)32231731(34)1824(33)29(23)28(27)22131425(26(1622)355)3719211198101221h814162832H67151719H215H3
MFCD00753338
ZINC000003094445
ZINC000003094446
Check stock
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Check stock on Vitas-MAvailable files
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