Vitas-M small molecule compound
N-(4-bromo-3-methylphenyl)-2-[(3-butyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL193119
SMILES CCCCn1c(SCC(=O)Nc2ccc(c(c2)C)Br)nc2c(c1=O)[nH]cc2c1ccccc1
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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 C25H25BrN4O2S MW 525.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN4O2S/c1-3-4-12-30-24(32)23-22(19(14-27-23)17-8-6-5-7-9-17)29-25(30)33-15-21(31)28-18-10-11-20(26)16(2)13-18/h5-11,13-14,27H,3-4,12,15H2,1-2H3,(H,28,31)InChIKey
JFYXEQUXPTYBGR-UHFFFAOYSA-NSynonyms
1794783-78-01794783780
CCCCN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC(=C(C=C4)Br)C
CCCCn1c(SCC(=O)Nc2ccc(c(c2)C)Br)nc2c(c1=O)(nH)cc2c1ccccc1
InChI=1SC25H25BrN4O2Sc134123024(32)2322(19(142723)178657917)2925(30)331521(31)2818101120(26)16(2)1318h511131427H341215H212H3(H2831)
MFCD22390884
N(4bromo3methylphenyl)2((3butyl4oxo7phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(4BROMO3METHYLPHENYL)2((3BUTYL4OXO7PHENYL45DIHYDRO3HPYRROLO(32D)PYRIMIDIN2YL)THIO)ACETAMIDE
N(4bromo3methylphenyl)2((3butyl4oxo7phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000101352831
ZINC101352831
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