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-(4-bromo-3-methylphenyl)acetamide

Catalog ID
STK575722
SMILES COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)C)Br

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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 C21H20BrN7O2S MW 514.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN7O2S/c1-12-9-14(5-8-16(12)22)24-19(30)11-32-21-28-27-20(29(21)23)18-10-17(25-26-18)13-3-6-15(31-2)7-4-13/h3-10H,11,23H2,1-2H3,(H,24,30)(H,25,26)
InChIKey
AIZQKWFEAJBVNR-UHFFFAOYSA-N
Synonyms
879460-76-1
2((4AMINO5(3(4METHOXYPHENYL)1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)N(4BROMO3METHYLPHENYL)ACETAMIDE
2((4amino5(3(4methoxyphenyl)1Hpyrazol5yl)4H124triazol3yl)thio)N(4bromo3methylphenyl)acetamide
2((4amino5(5(4methoxyphenyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(4bromo3methylphenyl)acetamide
2(4AMINO5(3(4METHOXYPHENYL)PYRAZOL5YL)(124TRIAZOL3YLTHIO))N(4BROMO3METHYLPHENYL)ACETAMIDE
879460761
CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)OC)Br
COc1ccc(cc1)c1(nH)nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)C)Br
COc1ccc(cc1)c1n(nH)c(c1)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)C)Br
InChI=1SC21H20BrN7O2Sc112914(5816(12)22)2419(30)113221282720(29(21)23)181017(252618)133615(312)7413h310H1123H212H3(H2430)(H2526)
MFCD07208391
ZINC000009187146
ZINC09187146
ZINC9187146

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Available files

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