Vitas-M small molecule compound
(5E)-1-(3-bromophenyl)-5-{4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK330862
SMILES Brc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)/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 C24H13BrF3N3O6 MW 576.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H13BrF3N3O6/c25-15-2-1-3-16(12-15)30-22(33)18(21(32)29-23(30)34)10-13-4-7-17(8-5-13)37-20-9-6-14(24(26,27)28)11-19(20)31(35)36/h1-12H,(H,29,32,34)/b18-10+InChIKey
BPEKPALJGFFWLA-VCHYOVAHSA-NSynonyms
(5E)1(3bromophenyl)5((4(2nitro4(trifluoromethyl)phenoxy)phenyl)methylidene)13diazinane246trione
(5E)1(3bromophenyl)5(4(2nitro4(trifluoromethyl)phenoxy)benzylidene)pyrimidine246(1H3H5H)trione
Brc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)Oc2ccc(cc2(N+)(=O)(O))C(F)(F)F)C1=O
C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O))C(=O)NC2=O
InChI=1SC24H13BrF3N3O6c251521316(1215)3022(33)18(21(32)2923(30)34)10134717(8513)37209614(24(2627)28)1119(20)31(35)36h112H(H293234)b1810+
MFCD02309065
ZINC000100474634
ZINC100474634
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