Vitas-M small molecule compound
4-{(E)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-nitrobenzenesulfonate
Catalog ID
STL383012
SMILES Clc1ccc(cc1)C1=N/C(=C/c2ccc(cc2)OS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])/C(=O)O1
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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 C22H13ClN2O7S MW 484.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClN2O7S/c23-16-5-3-15(4-6-16)21-24-20(22(26)31-21)13-14-1-9-18(10-2-14)32-33(29,30)19-11-7-17(8-12-19)25(27)28/h1-13H/b20-13+InChIKey
QZXLBVOFRNGQKD-DEDYPNTBSA-NSynonyms
(4((E)(2(4CHLOROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)4NITROBENZENESULFONATE
4((E)(2(4chlorophenyl)5oxo13oxazol4(5H)ylidene)methyl)phenyl4nitrobenzenesulfonate
C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(cc1)C1=NC(=Cc2ccc(cc2)OS(=O)(=O)c2ccc(cc2)(N+)(=O)(O))C(=O)O1
InChI=1SC22H13ClN2O7Sc23165315(4616)212420(22(26)3121)13141918(10214)3233(2930)1911717(81219)25(27)28h113Hb2013+
MFCD02581535
ZINC000002980561
ZINC02980561
ZINC2980561
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