Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-N-phenyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK778586
SMILES CC1=C(C(=O)Nc2ccccc2)C(C2=C(N1)CC(CC2=O)c1cccs1)c1ccc2c(c1)OCO2
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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 C28H24N2O4S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O4S/c1-16-25(28(32)30-19-6-3-2-4-7-19)26(17-9-10-22-23(14-17)34-15-33-22)27-20(29-16)12-18(13-21(27)31)24-8-5-11-35-24/h2-11,14,18,26,29H,12-13,15H2,1H3,(H,30,32)InChIKey
UATFRORLLABSRT-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)2methyl5oxoNphenyl7(thiophen2yl)145678hexahydroquinoline3carboxamide
4(13benzodioxol5yl)2methyl5oxoNphenyl7thiophen2yl4678tetrahydro1Hquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)NC6=CC=CC=C6
InChI=1SC28H24N2O4Sc11625(28(32)30196324719)26(179102223(1417)34153322)2720(2916)1218(1321(27)31)2485113524h21114182629H121315H21H3(H3032)
MFCD05856840
ZINC000001427803
ZINC000012416329
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