Vitas-M small molecule compound
6-{(E)-2-[5-(4-chloro-2,5-dimethoxyphenyl)furan-2-yl]ethenyl}-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK057458
SMILES COc1cc(Cl)c(cc1c1ccc(o1)/C=C/c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-])OC
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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 C18H14ClN3O7 MW 419.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN3O7/c1-27-14-8-11(19)15(28-2)7-10(14)13-6-4-9(29-13)3-5-12-16(22(25)26)17(23)21-18(24)20-12/h3-8H,1-2H3,(H2,20,21,23,24)/b5-3+InChIKey
OVHKEVPZSOLSIF-HWKANZROSA-NSynonyms
6((E)2(5(4CHLORO25DIMETHOXYPHENYL)FURAN2YL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6((E)2(5(4CHLORO25DIMETHOXYPHENYL)FURAN2YL)ETHENYL)5NITROPYRIMIDINE24(1H3H)DIONE
COC1=CC(=C(C=C1C2=CC=C(O2)C=CC3=C(C(=O)NC(=O)N3)(N+)(=O)(O))OC)Cl
COc1cc(Cl)c(cc1c1ccc(o1)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O))OC
InChI=1SC18H14ClN3O7c12714811(19)15(282)710(14)13649(2913)351216(22(25)26)17(23)2118(24)2012h38H12H3(H220212324)b53+
MFCD02916873
STK057458
ZINC000013895954
ZINC13895954
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