Vitas-M small molecule compound

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

Catalog ID
STK575346
SMILES COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1c(C)cc(cc1Cl)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 C22H22ClN7O2S MW 483.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN7O2S/c1-12-8-13(2)20(16(23)9-12)25-19(31)11-33-22-29-28-21(30(22)24)18-10-17(26-27-18)14-4-6-15(32-3)7-5-14/h4-10H,11,24H2,1-3H3,(H,25,31)(H,26,27)
InChIKey
GAKYEJMOOCJLIF-UHFFFAOYSA-N
Synonyms
879467-37-5
2((4AMINO5(3(4METHOXYPHENYL)1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)N(2CHLORO46DIMETHYLPHENYL)ACETAMIDE
2((4amino5(3(4methoxyphenyl)1Hpyrazol5yl)4H124triazol3yl)thio)N(2chloro46dimethylphenyl)acetamide
2((4amino5(5(4methoxyphenyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(2chloro46dimethylphenyl)acetamide
2(4AMINO5(3(4METHOXYPHENYL)PYRAZOL5YL)(124TRIAZOL3YLTHIO))N(2CHLORO46DIMETHYLPHENYL)ACETAMIDE
879467375
CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)c1(nH)nc(c1)c1nnc(n1N)SCC(=O)Nc1c(C)cc(cc1Cl)C
COc1ccc(cc1)c1n(nH)c(c1)c1nnc(n1N)SCC(=O)Nc1c(C)cc(cc1Cl)C
InChI=1SC22H22ClN7O2Sc112813(2)20(16(23)912)2519(31)113322292821(30(22)24)181017(262718)144615(323)7514h410H1124H213H3(H2531)(H2627)
MFCD07210293
ZINC000009446829
ZINC09446829
ZINC9446829

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Available files

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