Vitas-M small molecule compound

tetrahydrofuran-2-ylmethyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK083657
SMILES CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1

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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 C26H33NO4 MW 423.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO4/c1-5-17-8-10-18(11-9-17)23-22(25(29)31-15-19-7-6-12-30-19)16(2)27-20-13-26(3,4)14-21(28)24(20)23/h8-11,19,23,27H,5-7,12-15H2,1-4H3
InChIKey
OLYNGELFQIMWAQ-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4CCCO4)C
CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1
InChI=1SC26H33NO4c151781018(11917)2322(25(29)31151976123019)16(2)27201326(34)1421(28)24(20)23h811192327H571215H214H3
MFCD02375952
oxolan2ylmethyl4(4ethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK083657
tetrahydrofuran2ylmethyl4(4ethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001201997
ZINC000001202008

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Available files

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