Vitas-M small molecule compound

2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide

Catalog ID
STK595767
SMILES O=C(Nc1c(C)cccc1C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(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 C22H23N7OS MW 433.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N7OS/c1-13-7-9-16(10-8-13)17-11-18(26-25-17)21-27-28-22(29(21)23)31-12-19(30)24-20-14(2)5-4-6-15(20)3/h4-11H,12,23H2,1-3H3,(H,24,30)(H,25,26)
InChIKey
KSSFOKMQRBGNAF-UHFFFAOYSA-N
Synonyms
879454-90-7
2((4AMINO5(3(4METHYLPHENYL)1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)N(26DIMETHYLPHENYL)ACETAMIDE
2((4amino5(3(ptolyl)1Hpyrazol5yl)4H124triazol3yl)thio)N(26dimethylphenyl)acetamide
2((4amino5(5(4methylphenyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(26dimethylphenyl)acetamide
2(4AMINO5(3(4METHYLPHENYL)PYRAZOL5YL)(124TRIAZOL3YLTHIO))N(26DIMETHYLPHENYL)ACETAMIDE
879454907
CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=C(C=CC=C4C)C
InChI=1SC22H23N7OSc1137916(10813)171118(262517)21272822(29(21)23)311219(30)242014(2)54615(20)3h411H1223H213H3(H2430)(H2526)
MFCD07208035
O=C(Nc1c(C)cccc1C)CSc1nnc(n1N)c1(nH)nc(c1)c1ccc(cc1)C
O=C(Nc1c(C)cccc1C)CSc1nnc(n1N)c1n(nH)c(c1)c1ccc(cc1)C
ZINC000009487850
ZINC09487850
ZINC9487850

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Available files

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