Vitas-M small molecule compound
2-chloro-6-methoxy-4-{(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STL383021
SMILES COc1cc(/C=C\2/N=C(OC2=O)c2ccc(cc2)C)cc(c1OS(=O)(=O)c1ccc(cc1)C)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 C25H20ClNO6S MW 497.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClNO6S/c1-15-4-8-18(9-5-15)24-27-21(25(28)32-24)13-17-12-20(26)23(22(14-17)31-3)33-34(29,30)19-10-6-16(2)7-11-19/h4-14H,1-3H3/b21-13+InChIKey
PTEIMMXWRYVMQI-FYJGNVAPSA-NSynonyms
(2CHLORO6METHOXY4((E)(2(4METHYLPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2chloro6methoxy4((E)(2(4methylphenyl)5oxo13oxazol4(5H)ylidene)methyl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C(=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)C)OC)C(=O)O2
COc1cc(C=C2N=C(OC2=O)c2ccc(cc2)C)cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl
InChI=1SC25H20ClNO6Sc1154818(9515)242721(25(28)3224)13171220(26)23(22(1417)313)3334(2930)1910616(2)71119h414H13H3b2113+
MFCD02581247
ZINC000022276058
ZINC22276058
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