Vitas-M small molecule compound

2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide

Catalog ID
STL348948
SMILES O=C(Nc1cc(C)ccc1C)CSc1ncnc2c1cnn2c1ccc(cc1)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 C21H18BrN5OS MW 468.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN5OS/c1-13-3-4-14(2)18(9-13)26-19(28)11-29-21-17-10-25-27(20(17)23-12-24-21)16-7-5-15(22)6-8-16/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey
DXZXMSLKMVTYLS-UHFFFAOYSA-N
Synonyms
862191-95-5
2((1(4bromophenyl)1Hpyrazolo(34d)pyrimidin4yl)sulfanyl)N(25dimethylphenyl)acetamide
2((1(4bromophenyl)1Hpyrazolo(34d)pyrimidin4yl)thio)N(25dimethylphenyl)acetamide
2(1(4BROMOPHENYL)PYRAZOLO(34D)PYRIMIDIN4YL)SULFANYLN(25DIMETHYLPHENYL)ACETAMIDE
862191955
CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br
InChI=1SC21H18BrN5OSc1133414(2)18(913)2619(28)11292117102527(20(17)23122421)167515(22)6816h31012H11H212H3(H2628)
MFCD05696267
ZINC000009291766
ZINC09291766
ZINC9291766

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Available files

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