Vitas-M small molecule compound
2-{[4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethanone
Catalog ID
STL375418
SMILES CC1CCCC(N1C(=O)CSc1nnc(n1c1ccc(c(c1)C)C)c1ccccc1)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 C25H30N4OS MW 434.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4OS/c1-17-13-14-22(15-18(17)2)29-24(21-11-6-5-7-12-21)26-27-25(29)31-16-23(30)28-19(3)9-8-10-20(28)4/h5-7,11-15,19-20H,8-10,16H2,1-4H3InChIKey
UJJYUKFAZIXGNT-UHFFFAOYSA-NSynonyms
2((4(34DIMETHYLPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)1(26DIMETHYLPIPERIDIN1YL)ETHANONE
2((4(34dimethylphenyl)5phenyl4H124triazol3yl)sulfanyl)1(26dimethylpiperidin1yl)ethanone
CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)C)C)C4=CC=CC=C4)C
InChI=1SC25H30N4OSc117131422(1518(17)2)2924(21116571221)262725(29)311623(30)2819(3)981020(28)4h5711151920H81016H214H3
MFCD03997121
ZINC000002837877
ZINC000013163080
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