Vitas-M small molecule compound
ethyl 2-({[5-(4-tert-butylphenyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate
Catalog ID
STK794899
SMILES CCOC(=O)c1ccccc1NCn1nc(oc1=S)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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-5-27-20(26)17-8-6-7-9-18(17)23-14-25-21(29)28-19(24-25)15-10-12-16(13-11-15)22(2,3)4/h6-13,23H,5,14H2,1-4H3InChIKey
JELFBSCVERDFPS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NCN2C(=S)OC(=N2)C3=CC=C(C=C3)C(C)(C)C
ethyl2(((5(4tertbutylphenyl)2thioxo134oxadiazol3(2H)yl)methyl)amino)benzoate
ETHYL2((5(4TERTBUTYLPHENYL)2SULFANYLIDENE134OXADIAZOL3YL)METHYLAMINO)BENZOATE
InChI=1SC22H25N3O3Sc152720(26)17867918(17)23142521(29)2819(2425)15101216(131115)22(23)4h61323H514H214H3
MFCD01820176
ZINC000004498745
ZINC04498745
ZINC4498745
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