Vitas-M small molecule compound
4-(2,3-dimethoxyphenyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK778382
SMILES COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)Nc1cccc(c1)F
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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 C29H27FN2O4S MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27FN2O4S/c1-16-25(29(34)32-19-8-4-7-18(30)15-19)26(20-9-5-10-23(35-2)28(20)36-3)27-21(31-16)13-17(14-22(27)33)24-11-6-12-37-24/h4-12,15,17,26,31H,13-14H2,1-3H3,(H,32,34)InChIKey
SUJSHHAROWEXNE-UHFFFAOYSA-NSynonyms
4(23dimethoxyphenyl)N(3fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxamide
4(23dimethoxyphenyl)N(3fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C(=CC=C4)OC)OC)C(=O)NC5=CC(=CC=C5)F
InChI=1SC29H27FN2O4Sc11625(29(34)321984718(30)1519)26(20951023(352)28(20)363)2721(3116)1317(1422(27)33)24116123724h41215172631H1314H213H3(H3234)
MFCD05856486
ZINC000001427264
ZINC000012416363
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