Vitas-M small molecule compound

(2E)-3-{4-methoxy-3-[(5-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoic acid

Catalog ID
STK693771
SMILES COc1ccc(cc1Cn1nccc1[N+](=O)[O-])/C=C/C(=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 C14H13N3O5 MW 303.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O5/c1-22-12-4-2-10(3-5-14(18)19)8-11(12)9-16-13(17(20)21)6-7-15-16/h2-8H,9H2,1H3,(H,18,19)/b5-3+
InChIKey
VKUAGSPLRMDWHE-HWKANZROSA-N
Synonyms

(2E)3(4methoxy3((5nitro1Hpyrazol1yl)methyl)phenyl)prop2enoicacid
(2E)3(4METHOXY3((5NITROPYRAZOLYL)METHYL)PHENYL)PROP2ENOICACID
(E)3(4methoxy3((5nitropyrazol1yl)methyl)phenyl)prop2enoicacid
COC1=C(C=C(C=C1)C=CC(=O)O)CN2C(=CC=N2)(N+)(=O)(O)
COc1ccc(cc1Cn1nccc1(N+)(=O)(O))C=CC(=O)O
InChI=1SC14H13N3O5c122124210(3514(18)19)811(12)91613(17(20)21)671516h28H9H21H3(H1819)b53+
MFCD12033857
ZINC000015108208
ZINC15108208

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Available files

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