Vitas-M small molecule compound

cyclopentyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK018930
SMILES COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1

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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 C27H29NO5S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5S/c1-15-24(27(31)33-18-6-3-4-7-18)25(16-9-10-20(29)22(14-16)32-2)26-19(28-15)12-17(13-21(26)30)23-8-5-11-34-23/h5,8-11,14,17-18,25,28-29H,3-4,6-7,12-13H2,1-2H3
InChIKey
LYYKDMOZZHNVBS-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)OC5CCCC5
COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
cyclopentyl4(4hydroxy3methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(4hydroxy3methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H29NO5Sc11524(27(31)3318634718)25(1691020(29)22(1416)322)2619(2815)1217(1321(26)30)2385113423h5811141718252829H34671213H212H3
MFCD02868523
STK018930
ZINC000001456574
ZINC000001456577

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Available files

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