Vitas-M small molecule compound
(4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-tert-butylphenyl)-1,3-oxazol-5(4H)-one
Catalog ID
STK537842
SMILES O=C1OC(=N/C/1=C\c1cc2OCOc2cc1Br)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 C21H18BrNO4 MW 428.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO4/c1-21(2,3)14-6-4-12(5-7-14)19-23-16(20(24)27-19)8-13-9-17-18(10-15(13)22)26-11-25-17/h4-10H,11H2,1-3H3/b16-8-InChIKey
LTOUMTJOXADPIQ-PXNMLYILSA-NSynonyms
(4Z)4((6bromo13benzodioxol5yl)methylidene)2(4tertbutylphenyl)13oxazol5(4H)one
(4Z)4((6BROMO13BENZODIOXOL5YL)METHYLIDENE)2(4TERTBUTYLPHENYL)13OXAZOL5ONE
(Z)4((6bromobenzo(d)(13)dioxol5yl)methylene)2(4(tertbutyl)phenyl)oxazol5(4H)one
4((6BROMO13BENZODIOXOL5YL)METHYLENE)2(4TERTBUTYLPHENYL)13OXAZOL5(4H)ONE
CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC4=C(C=C3Br)OCO4)C(=O)O2
InChI=1SC21H18BrNO4c121(23)146412(5714)192316(20(24)2719)81391718(1015(13)22)26112517h410H11H213H3b168
MFCD00621062
O=C1OC(=NC1=Cc1cc2OCOc2cc1Br)c1ccc(cc1)C(C)(C)C
ZINC000008387312
ZINC08387312
ZINC8387312
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