Vitas-M small molecule compound

ethyl 4-(3-methoxyphenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate

Catalog ID
STK780892
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1cccc(c1)OC)c1cccs1

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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 C23H23NO5S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5S/c1-3-29-23(27)21-16(18-8-5-9-30-18)11-17-20(22(21)26)15(12-19(25)24-17)13-6-4-7-14(10-13)28-2/h4-10,15-16,21H,3,11-12H2,1-2H3,(H,24,25)
InChIKey
VXVPOJLVAWXQCN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)C3=CC(=CC=C3)OC)C4=CC=CS4
ethyl4(3methoxyphenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(3methoxyphenyl)25dioxo7thiophen2yl134678hexahydroquinoline6carboxylate
InChI=1SC23H23NO5Sc132923(27)2116(188593018)111720(22(21)26)15(1219(25)2417)1364714(1013)282h410151621H31112H212H3(H2425)
MFCD06013986
ZINC000012412993
ZINC000014943982

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.