Vitas-M small molecule compound
2-[(5-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK221877
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)CSc1nnc(n1C)CC(=O)Nc1ccc(c(c1)C)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 C25H33N5O2S MW 467.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N5O2S/c1-15-4-5-20(6-16(15)2)26-22(31)10-21-28-29-24(30(21)3)33-14-23(32)27-25-11-17-7-18(12-25)9-19(8-17)13-25/h4-6,17-19H,7-14H2,1-3H3,(H,26,31)(H,27,32)InChIKey
CYOABJSXUOVJRG-UHFFFAOYSA-NSynonyms
2((5(2((34dimethylphenyl)amino)2oxoethyl)4methyl4H124triazol3yl)sulfanyl)N(tricyclo(3311~37~)dec1yl)acetamide
2(5(2(1ADAMANTYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(34DIMETHYLPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C
InChI=1SC25H33N5O2Sc1154520(616(15)2)2622(31)1021282924(30(21)3)331423(32)27251117718(1225)919(817)1325h461719H714H213H3(H2631)(H2732)
MFCD07399340
ZINC000009302441
ZINC09302441
ZINC9302441
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