Vitas-M small molecule compound
N'-[(Z)-{2-bromo-4-[(2-cyanobenzyl)oxy]-5-ethoxyphenyl}methylidene]-5-nitro-1-benzofuran-2-carbohydrazide
Catalog ID
STK199937
SMILES CCOc1cc(/C=N\NC(=O)c2cc3c(o2)ccc(c3)[N+](=O)[O-])c(cc1OCc1ccccc1C#N)Br
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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 C26H19BrN4O6 MW 563.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrN4O6/c1-2-35-23-11-19(21(27)12-24(23)36-15-17-6-4-3-5-16(17)13-28)14-29-30-26(32)25-10-18-9-20(31(33)34)7-8-22(18)37-25/h3-12,14H,2,15H2,1H3,(H,30,32)/b29-14-InChIKey
YIAMIIADRWKPKT-NUJZUDFISA-NSynonyms
CCOC1=C(C=C(C(=C1)C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)(N+)(=O)(O))Br)OCC4=CC=CC=C4C#N
CCOc1cc(C=NNC(=O)c2cc3c(o2)ccc(c3)(N+)(=O)(O))c(cc1OCc1ccccc1C#N)Br
InChI=1SC26H19BrN4O6c1235231119(21(27)1224(23)361517643516(17)1328)14293026(32)251018920(31(33)34)7822(18)3725h31214H215H21H3(H3032)b2914
MFCD05041712
N((Z)(2BROMO4((2CYANOBENZYL)OXY)5ETHOXYPHENYL)METHYLIDENE)5NITRO1BENZOFURAN2CARBOHYDRAZIDE
N((Z)(2BROMO4((2CYANOPHENYL)METHOXY)5ETHOXYPHENYL)METHYLIDENEAMINO)5NITRO1BENZOFURAN2CARBOXAMIDE
ZINC000101753797
ZINC100252729
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