Vitas-M small molecule compound
N'-[(3E)-5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-7-tert-butyl-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
Catalog ID
STK745363
SMILES O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)N/N=C/1\c2cc(Br)ccc2N(C1=O)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 C22H22BrN3O4 MW 472.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O4/c1-22(2,3)12-5-8-16-17(9-12)30-18(11-29-16)20(27)25-24-19-14-10-13(23)6-7-15(14)26(4)21(19)28/h5-10,18H,11H2,1-4H3,(H,25,27)/b24-19+InChIKey
KHGWRHWEBOAQDE-LYBHJNIJSA-NSynonyms
(E)N(5bromo1methyl2oxoindolin3ylidene)7(tertbutyl)23dihydrobenzo(b)(14)dioxine2carbohydrazide
CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=C3C4=C(C=CC(=C4)Br)N(C3=O)C
InChI=1SC22H22BrN3O4c122(23)12581617(912)3018(112916)20(27)252419141013(23)6715(14)26(4)21(19)28h51018H11H214H3(H2527)b2419+
MFCD03000453
N((3E)5bromo1methyl2oxo12dihydro3Hindol3ylidene)7tertbutyl23dihydro14benzodioxine2carbohydrazide
N((E)(5bromo1methyl2oxoindol3ylidene)amino)6tertbutyl23dihydro14benzodioxine3carboxamide
O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)NN=C1c2cc(Br)ccc2N(C1=O)C
ZINC000002311162
ZINC000002311164
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