Vitas-M small molecule compound
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N,N-diethylacetamide
Catalog ID
STL337430
SMILES CCN(C(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)OC)CC
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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 C25H31N3O3S MW 453.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O3S/c1-6-28(7-2)21(30)15-32-24-18(14-26)22(16-8-10-17(31-5)11-9-16)23-19(27-24)12-25(3,4)13-20(23)29/h8-11,22,27H,6-7,12-13,15H2,1-5H3InChIKey
LECAJACXGQRMCY-UHFFFAOYSA-NSynonyms
799786-58-62((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)NNdiethylacetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)NNdiethylacetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)NNdiethylacetamide
799786586
CCN(CC)C(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C#N
InChI=1SC25H31N3O3Sc1628(72)21(30)15322418(1426)22(1681017(315)11916)2319(2724)1225(34)1320(23)29h8112227H67121315H215H3
MFCD03675609
ZINC000013189482
ZINC000013189485
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