Vitas-M small molecule compound
N-(4-bromo-2-fluorophenyl)-2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL103880
SMILES CC(CCn1c(SCC(=O)Nc2ccc(cc2F)Br)nc2c(c1=O)[nH]c(c2)C)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 C20H22BrFN4O2S MW 481.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrFN4O2S/c1-11(2)6-7-26-19(28)18-16(8-12(3)23-18)25-20(26)29-10-17(27)24-15-5-4-13(21)9-14(15)22/h4-5,8-9,11,23H,6-7,10H2,1-3H3,(H,24,27)InChIKey
CJGXSDKASJSZSX-UHFFFAOYSA-NSynonyms
CC(CCn1c(SCC(=O)Nc2ccc(cc2F)Br)nc2c(c1=O)(nH)c(c2)C)C
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)Br)F)CCC(C)C
InChI=1SC20H22BrFN4O2Sc111(2)672619(28)1816(812(3)2318)2520(26)291017(27)24155413(21)914(15)22h45891123H6710H213H3(H2427)
MFCD20735482
N(4bromo2fluorophenyl)2((6methyl3(3methylbutyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(4bromo2fluorophenyl)2((6methyl3(3methylbutyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067238053
ZINC67238053
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