Vitas-M small molecule compound

(5E)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK176567
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)C)cc(c1O)[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 C13H11N3O7 MW 321.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O7/c1-15-12(19)7(11(18)14-13(15)20)3-6-4-8(16(21)22)10(17)9(5-6)23-2/h3-5,17H,1-2H3,(H,14,18,20)/b7-3+
InChIKey
PCZCWXWFBSYWAE-XVNBXDOJSA-N
Synonyms

(5E)5((4HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)1METHYL13DIAZINANE246TRIONE
(5E)5(4HYDROXY3METHOXY5NITROBENZYLIDENE)1METHYLPYRIMIDINE246(1H3H5H)TRIONE
(E)5(4hydroxy3methoxy5nitrobenzylidene)1methylpyrimidine246(1H3H5H)trione
CN1C(=O)C(=CC2=CC(=C(C(=C2)OC)O)(N+)(=O)(O))C(=O)NC1=O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)C)cc(c1O)(N+)(=O)(O)
InChI=1SC13H11N3O7c11512(19)7(11(18)1413(15)20)3648(16(21)22)10(17)9(56)232h3517H12H3(H141820)b73+
MFCD01827920
ZINC000013810057
ZINC13810057

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Available files

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