Vitas-M small molecule compound
6-[(Z)-2-(3-bromo-4-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK287077
SMILES O=c1[nH]c(/C=C\c2ccc(c(c2)Br)F)c(c(=O)[nH]1)[N+](=O)[O-]
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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 C12H7BrFN3O4 MW 356.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7BrFN3O4/c13-7-5-6(1-3-8(7)14)2-4-9-10(17(20)21)11(18)16-12(19)15-9/h1-5H,(H2,15,16,18,19)/b4-2-InChIKey
CCAODUBCHJOUIE-RQOWECAXSA-NSynonyms
6((Z)2(3BROMO4FLUOROPHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6((Z)2(3BROMO4FLUOROPHENYL)ETHENYL)5NITROPYRIMIDINE24(1H3H)DIONE
C1=CC(=C(C=C1C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))Br)F
InChI=1SC12H7BrFN3O4c13756(138(7)14)24910(17(20)21)11(18)1612(19)159h15H(H215161819)b42
MFCD04389965
O=c1(nH)c(C=Cc2ccc(c(c2)Br)F)c(c(=O)(nH)1)(N+)(=O)(O)
ZINC000030840506
ZINC30840506
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