Vitas-M small molecule compound
2-{(E)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STK710208
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1/C=C\1/N=C(OC1=O)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 C27H25NO5S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5S/c1-18-9-15-22(16-10-18)34(30,31)33-24-8-6-5-7-20(24)17-23-26(29)32-25(28-23)19-11-13-21(14-12-19)27(2,3)4/h5-17H,1-4H3/b23-17+InChIKey
TVNMTYNZCZSNRA-HAVVHWLPSA-NSynonyms
(2((E)(2(4TERTBUTYLPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2((E)(2(4tertbutylphenyl)5oxo13oxazol4(5H)ylidene)methyl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)OC(=N3)C4=CC=C(C=C4)C(C)(C)C
Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C=C1N=C(OC1=O)c1ccc(cc1)C(C)(C)C
InChI=1SC27H25NO5Sc11891522(161018)34(3031)3324865720(24)172326(29)3225(2823)19111321(141219)27(23)4h517H14H3b2317+
MFCD03238139
ZINC000002188162
ZINC02188162
ZINC2188162
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