Vitas-M small molecule compound

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

Catalog ID
STK375938
SMILES O=C(C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C)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 C25H27NO3S MW 421.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO3S/c1-16-21(24(28)29-12-11-17-8-5-4-6-9-17)23(20-10-7-13-30-20)22-18(26-16)14-25(2,3)15-19(22)27/h4-10,13,23,26H,11-12,14-15H2,1-3H3
InChIKey
YPUNKDAXMIVCFB-UHFFFAOYSA-N
Synonyms
321532-42-7
2phenylethyl277trimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenylethyl277trimethyl5oxo4thiophen2yl1468tetrahydroquinoline3carboxylate
321532427
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CS3)C(=O)OCCC4=CC=CC=C4
InChI=1SC25H27NO3Sc11621(24(28)291211178546917)23(20107133020)2218(2616)1425(23)1519(22)27h410132326H11121415H213H3
MFCD01192078
ZINC000019771438
ZINC000019771439

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Available files

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