Vitas-M small molecule compound
4-[(E)-{2-[(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK026589
SMILES COc1cc(/C=N/NC(=O)Cc2ccc(c3c2cccc3)Br)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C27H20BrN3O6 MW 562.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrN3O6/c1-36-25-14-17(6-13-24(25)37-27(33)18-7-10-20(11-8-18)31(34)35)16-29-30-26(32)15-19-9-12-23(28)22-5-3-2-4-21(19)22/h2-14,16H,15H2,1H3,(H,30,32)/b29-16+InChIKey
ZGTWKQRYVKUPGX-MUFRIFMGSA-NSynonyms
(4((E)((2(4bromonaphthalen1yl)acetyl)hydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((E)(2((4BROMONAPHTHALEN1YL)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL4NITROBENZOATE
COC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=C(C3=CC=CC=C23)Br)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(C=NNC(=O)Cc2ccc(c3c2cccc3)Br)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H20BrN3O6c136251417(61324(25)3727(33)1871020(11818)31(34)35)16293026(32)151991223(28)22532421(19)22h21416H15H21H3(H3032)b2916+
MFCD00745712
STK026589
ZINC000101409907
ZINC101409904
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