Vitas-M small molecule compound
2-{[5-benzyl-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethanone
Catalog ID
STL375366
SMILES CC1CCCC(N1C(=O)CSc1nnc(n1c1ccc(c(c1)C)C)Cc1ccccc1)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 C26H32N4OS MW 448.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4OS/c1-18-13-14-23(15-19(18)2)30-24(16-22-11-6-5-7-12-22)27-28-26(30)32-17-25(31)29-20(3)9-8-10-21(29)4/h5-7,11-15,20-21H,8-10,16-17H2,1-4H3InChIKey
MXHBKSZPZHYULX-UHFFFAOYSA-NSynonyms
2((5BENZYL4(34DIMETHYLPHENYL)124TRIAZOL3YL)SULFANYL)1(26DIMETHYLPIPERIDIN1YL)ETHANONE
2((5benzyl4(34dimethylphenyl)4H124triazol3yl)sulfanyl)1(26dimethylpiperidin1yl)ethanone
CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)C)C)CC4=CC=CC=C4)C
InChI=1SC26H32N4OSc118131423(1519(18)2)3024(1622116571222)272826(30)321725(31)2920(3)981021(29)4h5711152021H8101617H214H3
MFCD03998672
ZINC000002838641
ZINC000013163081
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