Vitas-M small molecule compound

butyl 4-[2-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK044585
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)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 C30H35NO4 MW 473.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO4/c1-5-6-16-34-29(33)26-20(2)31-23-17-30(3,4)18-24(32)28(23)27(26)22-14-10-11-15-25(22)35-19-21-12-8-7-9-13-21/h7-15,27,31H,5-6,16-19H2,1-4H3
InChIKey
YZXIUMSZNILEHS-UHFFFAOYSA-N
Synonyms

butyl277trimethyl5oxo4(2phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
butyl4(2(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)(C)C
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)CC(C2)(C)C)C
InChI=1SC30H35NO4c156163429(33)2620(2)31231730(34)1824(32)28(23)27(26)221410111525(22)351921128791321h7152731H561619H214H3
MFCD00770931
STK044585
ZINC000002063676
ZINC000002063677

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Available files

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