Vitas-M small molecule compound

4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

Catalog ID
STK350421
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])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 C12H11N3O5 MW 277.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O5/c1-20-11-3-2-8(12(16)17)4-9(11)6-14-7-10(5-13-14)15(18)19/h2-5,7H,6H2,1H3,(H,16,17)
InChIKey
SMTTWBNEGXXXDN-UHFFFAOYSA-N
Synonyms
956204-53-8
4methoxy3((4nitro1Hpyrazol1yl)methyl)benzoicacid
4METHOXY3((4NITROPYRAZOL1YL)METHYL)BENZOICACID
4METHOXY3((4NITROPYRAZOLYL)METHYL)BENZOICACID
4METHOXY3(4NITROPYRAZOL1YLMETHYL)BENZOICA
4METHOXY3(4NITROPYRAZOL1YLMETHYL)BENZOICACID
956204538
COC1=C(C=C(C=C1)C(=O)O)CN2C=C(C=N2)(N+)(=O)(O)
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C(=O)O
InChI=1SC12H11N3O5c12011328(12(16)17)49(11)614710(51314)15(18)19h257H6H21H3(H1617)
MFCD06653192
ZINC000004237611
ZINC4237611

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Available files

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