Vitas-M small molecule compound
3-[(2-chloro-6-methoxy-4-{(E)-[2-(3-nitropyridin-2-yl)hydrazinylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK114827
SMILES COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(c1OCc1cccc(c1)C(=O)O)Cl
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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 C21H17ClN4O6 MW 456.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O6/c1-31-18-10-14(11-24-25-20-17(26(29)30)6-3-7-23-20)9-16(22)19(18)32-12-13-4-2-5-15(8-13)21(27)28/h2-11H,12H2,1H3,(H,23,25)(H,27,28)/b24-11+InChIKey
ZWOCSMGNXYSOAK-BHGWPJFGSA-NSynonyms
3((2chloro6methoxy4((E)((3nitropyridin2yl)hydrazinylidene)methyl)phenoxy)methyl)benzoicacid
3((2CHLORO6METHOXY4((E)(2(3NITROPYRIDIN2YL)HYDRAZINYLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC1=C(C(=CC(=C1)C=NNC2=C(C=CC=N2)(N+)(=O)(O))Cl)OCC3=CC=CC(=C3)C(=O)O
COc1cc(C=NNc2ncccc2(N+)(=O)(O))cc(c1OCc1cccc(c1)C(=O)O)Cl
InChI=1SC21H17ClN4O6c131181014(1124252017(26(29)30)6372320)916(22)19(18)32121342515(813)21(27)28h211H12H21H3(H2325)(H2728)b2411+
MFCD04128557
ZINC000009763837
ZINC33714887
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