Vitas-M small molecule compound

tert-butyl (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinecarboxylate

Catalog ID
STK200040
SMILES O=C(OC(C)(C)C)N/N=C/c1cc2OCOc2cc1Br

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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 C13H15BrN2O4 MW 343.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15BrN2O4/c1-13(2,3)20-12(17)16-15-6-8-4-10-11(5-9(8)14)19-7-18-10/h4-6H,7H2,1-3H3,(H,16,17)/b15-6+
InChIKey
LSRKOTGFYABWEM-GIDUJCDVSA-N
Synonyms

CC(C)(C)OC(=O)NN=CC1=CC2=C(C=C1Br)OCO2
InChI=1SC13H15BrN2O4c113(23)2012(17)16156841011(59(8)14)1971810h46H7H213H3(H1617)b156+
MFCD02820109
O=C(OC(C)(C)C)NN=Cc1cc2OCOc2cc1Br
tertbutyl(2E)2((6bromo13benzodioxol5yl)methylidene)hydrazinecarboxylate
TERTBUTYLN((E)(6BROMO13BENZODIOXOL5YL)METHYLIDENEAMINO)CARBAMATE
ZINC000000184355
ZINC32634432

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.