Vitas-M small molecule compound

2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide

Catalog ID
STL346739
SMILES O=C(Nc1c(Br)cc(cc1Br)C)CSc1ncnc2c1cnn2Cc1ccccc1

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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 C21H17Br2N5OS MW 547.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Br2N5OS/c1-13-7-16(22)19(17(23)8-13)27-18(29)11-30-21-15-9-26-28(20(15)24-12-25-21)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,27,29)
InChIKey
QMGRJFCHKMPDFE-UHFFFAOYSA-N
Synonyms
578755-59-6
2((1benzyl1Hpyrazolo(34d)pyrimidin4yl)sulfanyl)N(26dibromo4methylphenyl)acetamide
2((1benzyl1Hpyrazolo(34d)pyrimidin4yl)thio)N(26dibromo4methylphenyl)acetamide
2(1BENZYLPYRAZOLO(34D)PYRIMIDIN4YL)SULFANYLN(26DIBROMO4METHYLPHENYL)ACETAMIDE
578755596
CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4)Br
InChI=1SC21H17Br2N5OSc113716(22)19(17(23)813)2718(29)1130211592628(20(15)24122521)10145324614h2912H1011H21H3(H2729)
MFCD04024812
ZINC000002446860
ZINC2446860

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Available files

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