Vitas-M small molecule compound
2-{(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
Catalog ID
STK756236
SMILES O=C1OC(=N/C/1=C\c1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(cc1)C(C)(C)C
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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 C26H23NO5S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO5S/c1-26(2,3)20-15-13-18(14-16-20)24-27-22(25(28)31-24)17-19-9-7-8-12-23(19)32-33(29,30)21-10-5-4-6-11-21/h4-17H,1-3H3/b22-17-InChIKey
RJGQFSGGAHXLAT-XLNRJJMWSA-NSynonyms
(2((Z)(2(4TERTBUTYLPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)BENZENESULFONATE
2((Z)(2(4tertbutylphenyl)5oxo13oxazol4(5H)ylidene)methyl)phenylbenzenesulfonate
CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4)C(=O)O2
InChI=1SC26H23NO5Sc126(23)20151318(141620)242722(25(28)3124)17199781223(19)3233(2930)21105461121h417H13H3b2217
MFCD01050097
O=C1OC(=NC1=Cc1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(cc1)C(C)(C)C
ZINC000008826709
ZINC08826709
ZINC8826709
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