Vitas-M small molecule compound
6-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STL416052
SMILES Oc1ccc(cc1)/C=C/c1[nH]c(=O)[nH]c(=O)c1[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 C12H9N3O5 MW 275.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N3O5/c16-8-4-1-7(2-5-8)3-6-9-10(15(19)20)11(17)14-12(18)13-9/h1-6,16H,(H2,13,14,17,18)/b6-3+InChIKey
IXRBZNCTCYNHKP-ZZXKWVIFSA-NSynonyms
6((E)2(4HYDROXYPHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6((E)2(4hydroxyphenyl)ethenyl)5nitropyrimidine24(1H3H)dione
C1=CC(=CC=C1C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))O
InChI=1SC12H9N3O5c168417(258)36910(15(19)20)11(17)1412(18)139h1616H(H213141718)b63+
MFCD01241197
Oc1ccc(cc1)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O)
ZINC000004891479
ZINC4891479
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