Vitas-M small molecule compound
5-{3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK172513
SMILES O=C1N(C)C(=O)C(=Cc2ccc(c(c2)Cl)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)C(=O)N1C
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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 C20H13ClF3N3O6 MW 483.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClF3N3O6/c1-25-17(28)12(18(29)26(2)19(25)30)7-10-3-5-15(13(21)8-10)33-16-6-4-11(20(22,23)24)9-14(16)27(31)32/h3-9H,1-2H3InChIKey
XDDDYNTVVVWABD-UHFFFAOYSA-NSynonyms
5((3CHLORO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)13DIMETHYL13DIAZINANE246TRIONE
5(3CHLORO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)13DIMETHYLPYRIMIDINE246(1H3H5H)TRIONE
CN1C(=O)C(=CC2=CC(=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))Cl)C(=O)N(C1=O)C
InChI=1SC20H13ClF3N3O6c12517(28)12(18(29)26(2)19(25)30)7103515(13(21)810)33166411(20(2223)24)914(16)27(31)32h39H12H3
MFCD06150721
O=C1N(C)C(=O)C(=Cc2ccc(c(c2)Cl)Oc2ccc(cc2(N+)(=O)(O))C(F)(F)F)C(=O)N1C
ZINC000001106433
ZINC01106433
ZINC1106433
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