Vitas-M small molecule compound
ethyl 1-(3-chloro-4-methylphenyl)-4-(3-methoxyphenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686983
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1cccc(c1)OC)c1ccc(c(c1)Cl)C
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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 C30H28ClNO5S MW 550.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClNO5S/c1-4-37-30(35)28-22(25-9-6-12-38-25)15-24-27(29(28)34)21(18-7-5-8-20(13-18)36-3)16-26(33)32(24)19-11-10-17(2)23(31)14-19/h5-14,21-22,28H,4,15-16H2,1-3H3InChIKey
WQXHJCZDMFEWOQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC(=C(C=C3)C)Cl)C4=CC(=CC=C4)OC)C5=CC=CS5
ethyl1(3chloro4methylphenyl)4(3methoxyphenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl1(3chloro4methylphenyl)4(3methoxyphenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC30H28ClNO5Sc143730(35)2822(2596123825)152427(29(28)34)21(1875820(1318)363)1626(33)32(24)19111017(2)23(31)1419h514212228H41516H213H3
MFCD06617023
ZINC000098008138
ZINC000103022991
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