Vitas-M small molecule compound
methyl 2-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]benzoate
Catalog ID
STK671048
SMILES COC(=O)c1ccccc1/C=C/c1nc(O)nc(c1[N+](=O)[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 C14H11N3O6 MW 317.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N3O6/c1-23-13(19)9-5-3-2-4-8(9)6-7-10-11(17(21)22)12(18)16-14(20)15-10/h2-7H,1H3,(H2,15,16,18,20)/b7-6+InChIKey
KREZSTWBWDRWCT-VOTSOKGWSA-NSynonyms
COC(=O)C1=CC=CC=C1C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O)
COC(=O)c1ccccc1C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC14H11N3O6c12313(19)953248(9)671011(17(21)22)12(18)1614(20)1510h27H1H3(H215161820)b76+
methyl2((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)benzoate
METHYL2((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)BENZOATE
MFCD00747097
ZINC000004413841
ZINC4413841
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