Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK778447
SMILES Clc1ccc(cc1)NC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)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 C28H23ClN2O4S MW 519.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O4S/c1-15-25(28(33)31-19-7-5-18(29)6-8-19)26(16-4-9-22-23(13-16)35-14-34-22)27-20(30-15)11-17(12-21(27)32)24-3-2-10-36-24/h2-10,13,17,26,30H,11-12,14H2,1H3,(H,31,33)InChIKey
PZSMYODEBVBLBO-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)N(4chlorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxamide
4(13benzodioxol5yl)N(4chlorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)NC6=CC=C(C=C6)Cl
InChI=1SC28H23ClN2O4Sc11525(28(33)31197518(29)6819)26(16492223(1316)35143422)2720(3015)1117(1221(27)32)2432103624h21013172630H111214H21H3(H3133)
MFCD05856646
ZINC000001427578
ZINC000012416319
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