Vitas-M small molecule compound

2-phenylethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK049418
SMILES Cc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1

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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 C26H29NO3S MW 435.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO3S/c1-16-10-11-21(31-16)24-22(25(29)30-13-12-18-8-6-5-7-9-18)17(2)27-19-14-26(3,4)15-20(28)23(19)24/h5-11,24,27H,12-15H2,1-4H3
InChIKey
VSMDTURROHSZGZ-UHFFFAOYSA-N
Synonyms

2phenylethyl277trimethyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline3carboxylate
2phenylethyl277trimethyl4(5methylthiophen2yl)5oxo1468tetrahydroquinoline3carboxylate
CC1=CC=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCC4=CC=CC=C4)C
Cc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
InChI=1SC26H29NO3Sc116101121(3116)2422(25(29)301312188657918)17(2)27191426(34)1520(28)23(19)24h5112427H1215H214H3
MFCD02187999
STK049418
ZINC000008439312
ZINC000008439316

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Available files

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