Vitas-M small molecule compound
(2E)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoic acid
Catalog ID
STK346006
SMILES COc1ccc(cc1Cn1ncc(c1)[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/c1-22-13-4-2-10(3-5-14(18)19)6-11(13)8-16-9-12(7-15-16)17(20)21/h2-7,9H,8H2,1H3,(H,18,19)/b5-3+InChIKey
XGUBWDYKUHBGMM-HWKANZROSA-NSynonyms
1025153-76-7(2E)3(4METHOXY3((4NITRO1HPYRAZOL1YL)METHYL)PHENYL)ACRYLICACID
(2E)3(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)prop2enoicacid
(2E)3(4METHOXY3((4NITROPYRAZOL1YL)METHYL)PHENYL)PROP2ENOICACID
(E)3(4METHOXY3((4NITROPYRAZOL1YL)METHYL)PHENYL)PROP2ENOICACID
1025153767
3(4METHOXY3((4NITRO1HPYRAZOL1YL)METHYL)PHENYL)ACRYLICACID
COC1=C(C=C(C=C1)C=CC(=O)O)CN2C=C(C=N2)(N+)(=O)(O)
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C=CC(=O)O
InChI=1SC14H13N3O5c122134210(3514(18)19)611(13)816912(71516)17(20)21h279H8H21H3(H1819)b53+
MFCD06801422
ZINC000006406578
ZINC6406578
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