Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170739
SMILES Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])C)/C1=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 C22H14BrN3O6 MW 496.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrN3O6/c1-12-2-3-13(10-18(12)26(30)31)19-9-8-16(32-19)11-17-20(27)24-22(29)25(21(17)28)15-6-4-14(23)5-7-15/h2-11H,1H3,(H,24,27,29)/b17-11+InChIKey
BOIYXTRLTYIFEF-GZTJUZNOSA-NSynonyms
(5E)1(4BROMOPHENYL)5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4BROMOPHENYL)5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
Brc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))C)C1=O
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)(N+)(=O)(O)
InChI=1SC22H14BrN3O6c1122313(1018(12)26(30)31)199816(3219)111720(27)2422(29)25(21(17)28)156414(23)5715h211H1H3(H242729)b1711+
MFCD02624287
ZINC000001185778
ZINC1185778
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