Vitas-M small molecule compound
2-bromo-6-ethoxy-4-[(E)-{2-[(3-nitrophenyl)carbonyl]hydrazinylidene}methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK378625
SMILES CCOc1cc(/C=N/NC(=O)c2cccc(c2)[N+](=O)[O-])cc(c1OS(=O)(=O)c1ccc(cc1)C)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 C23H20BrN3O7S MW 562.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN3O7S/c1-3-33-21-12-16(14-25-26-23(28)17-5-4-6-18(13-17)27(29)30)11-20(24)22(21)34-35(31,32)19-9-7-15(2)8-10-19/h4-14H,3H2,1-2H3,(H,26,28)/b25-14+InChIKey
BEBWQNZYBXGLFL-AFUMVMLFSA-NSynonyms
(2bromo6ethoxy4((E)((3nitrobenzoyl)hydrazinylidene)methyl)phenyl)4methylbenzenesulfonate
2bromo6ethoxy4((E)(2((3nitrophenyl)carbonyl)hydrazinylidene)methyl)phenyl4methylbenzenesulfonate
4((1E)2((3NITROPHENYL)CARBONYLAMINO)2AZAVINYL)2BROMO6ETHOXYPHENYL4METHYLBENZENESULFONATE
CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)(N+)(=O)(O))Br)OS(=O)(=O)C3=CC=C(C=C3)C
CCOc1cc(C=NNC(=O)c2cccc(c2)(N+)(=O)(O))cc(c1OS(=O)(=O)c1ccc(cc1)C)Br
InChI=1SC23H20BrN3O7Sc1333211216(14252623(28)1754618(1317)27(29)30)1120(24)22(21)3435(3132)199715(2)81019h414H3H212H3(H2628)b2514+
MFCD01874135
ZINC000100231734
ZINC100231732
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