Vitas-M small molecule compound
2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]-1-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethanone
Catalog ID
STL361459
SMILES Oc1nc(SCC(=O)N2c3cc(C)c(cc3C(=CC2(C)C)C)C)nc(c1)CSc1ccc(cc1)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 C28H31N3O2S2 MW 505.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S2/c1-17-7-9-22(10-8-17)34-15-21-13-25(32)30-27(29-21)35-16-26(33)31-24-12-19(3)18(2)11-23(24)20(4)14-28(31,5)6/h7-14H,15-16H2,1-6H3,(H,29,30,32)InChIKey
DPDDGCLQOWASDZ-UHFFFAOYSA-NSynonyms
2((4hydroxy6(((4methylphenyl)sulfanyl)methyl)pyrimidin2yl)sulfanyl)1(22467pentamethylquinolin1(2H)yl)ethanone
6((4methylphenyl)sulfanylmethyl)2(2oxo2(22467pentamethylquinolin1yl)ethyl)sulfanyl1Hpyrimidin4one
CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)N3C4=CC(=C(C=C4C(=CC3(C)C)C)C)C
InChI=1SC28H31N3O2S2c1177922(10817)3415211325(32)3027(2921)351626(33)31241219(3)18(2)1123(24)20(4)1428(315)6h714H1516H216H3(H293032)
MFCD02127890
ZINC000058823767
ZINC58823767
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