Vitas-M small molecule compound
1-(2,6-dimethylpiperidin-1-yl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK114354
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N2C(C)CCCC2C)nnc1c1ccccc1
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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 C25H30N4O2S MW 450.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O2S/c1-4-31-22-15-13-21(14-16-22)29-24(20-11-6-5-7-12-20)26-27-25(29)32-17-23(30)28-18(2)9-8-10-19(28)3/h5-7,11-16,18-19H,4,8-10,17H2,1-3H3InChIKey
XDGSRNRKVVBFTR-UHFFFAOYSA-NSynonyms
1(26DIMETHYLPIPERIDIN1YL)2((4(4ETHOXYPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(26DIMETHYLPIPERIDIN1YL)2((4(4ETHOXYPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C(CCCC3C)C)C4=CC=CC=C4
InChI=1SC25H30N4O2Sc143122151321(141622)2924(20116571220)262725(29)321723(30)2818(2)981019(28)3h5711161819H481017H213H3
MFCD03998324
ZINC000001145949
ZINC000012628530
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