Vitas-M small molecule compound
3-({2-chloro-6-methoxy-4-[(E)-2-nitroethenyl]phenoxy}methyl)benzoic acid
Catalog ID
STL375757
SMILES COc1cc(/C=C/[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 C17H14ClNO6 MW 363.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClNO6/c1-24-15-9-11(5-6-19(22)23)8-14(18)16(15)25-10-12-3-2-4-13(7-12)17(20)21/h2-9H,10H2,1H3,(H,20,21)/b6-5+InChIKey
FMWGXEVHJLEKHE-AATRIKPKSA-NSynonyms
3((2chloro6methoxy4((E)2nitroethenyl)phenoxy)methyl)benzoicacid
COC1=C(C(=CC(=C1)C=C(N+)(=O)(O))Cl)OCC2=CC=CC(=C2)C(=O)O
COc1cc(C=C(N+)(=O)(O))cc(c1OCc1cccc(c1)C(=O)O)Cl
InChI=1SC17H14ClNO6c12415911(5619(22)23)814(18)16(15)25101232413(712)17(20)21h29H10H21H3(H2021)b65+
MFCD03716010
ZINC000004893105
ZINC4893105
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