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-(5-chloro-2-methylphenyl)acetamide

Catalog ID
STK584157
SMILES O=C(Nc1cc(Cl)ccc1C)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 C21H20ClN7OS MW 453.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN7OS/c1-12-3-6-14(7-4-12)17-10-18(26-25-17)20-27-28-21(29(20)23)31-11-19(30)24-16-9-15(22)8-5-13(16)2/h3-10H,11,23H2,1-2H3,(H,24,30)(H,25,26)
InChIKey
MSIDUYRDNLAQGL-UHFFFAOYSA-N
Synonyms
879459-19-5
2((4AMINO5(3(4METHYLPHENYL)1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)N(5CHLORO2METHYLPHENYL)ACETAMIDE
2((4amino5(3(ptolyl)1Hpyrazol5yl)4H124triazol3yl)thio)N(5chloro2methylphenyl)acetamide
2((4amino5(5(4methylphenyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(5chloro2methylphenyl)acetamide
2(4AMINO5(3(4METHYLPHENYL)PYRAZOL5YL)(124TRIAZOL3YLTHIO))N(5CHLORO2METHYLPHENYL)ACETAMIDE
879459195
CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=C(C=CC(=C4)Cl)C
InChI=1SC21H20ClN7OSc1123614(7412)171018(262517)20272821(29(20)23)311119(30)2416915(22)8513(16)2h310H1123H212H3(H2430)(H2526)
MFCD07205414
O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1N)c1(nH)nc(c1)c1ccc(cc1)C
O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1N)c1n(nH)c(c1)c1ccc(cc1)C
ZINC000009448755
ZINC09448755
ZINC9448755

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Available files

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