Vitas-M small molecule compound
(2E)-3-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoic acid
Catalog ID
STK346007
SMILES COc1ccc(cc1Cn1ccc(n1)[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)9-16-7-6-13(15-16)17(20)21/h2-8H,9H2,1H3,(H,18,19)/b5-3+InChIKey
OTXDSZMWPYUTLD-HWKANZROSA-NSynonyms
1173471-09-4(2E)3(4METHOXY3((3NITRO1HPYRAZOL1YL)METHYL)PHENYL)ACRYLICACID
(2E)3(4methoxy3((3nitro1Hpyrazol1yl)methyl)phenyl)prop2enoicacid
(2E)3(4METHOXY3((3NITROPYRAZOL1YL)METHYL)PHENYL)PROP2ENOICACID
(E)3(4methoxy3((3nitropyrazol1yl)methyl)phenyl)prop2enoicacid
1173471094
COC1=C(C=C(C=C1)C=CC(=O)O)CN2C=CC(=N2)(N+)(=O)(O)
COc1ccc(cc1Cn1ccc(n1)(N+)(=O)(O))C=CC(=O)O
InChI=1SC14H13N3O5c122124210(3514(18)19)811(12)9167613(1516)17(20)21h28H9H21H3(H1819)b53+
MFCD09878863
ZINC000012355467
ZINC12355467
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