Vitas-M small molecule compound
2,4-dibromo-6-[(E)-{2-[(2-nitrophenoxy)acetyl]hydrazinylidene}methyl]phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STK667744
SMILES COc1c(OC)cc(cc1OC)C(=O)Oc1c(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc(cc1Br)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 C25H21Br2N3O9 MW 667.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Br2N3O9/c1-35-20-9-14(10-21(36-2)24(20)37-3)25(32)39-23-15(8-16(26)11-17(23)27)12-28-29-22(31)13-38-19-7-5-4-6-18(19)30(33)34/h4-12H,13H2,1-3H3,(H,29,31)/b28-12+InChIKey
ZCJMZVJGGDSGIT-KVSWJAHQSA-NSynonyms
(24dibromo6((E)((2(2nitrophenoxy)acetyl)hydrazinylidene)methyl)phenyl)345trimethoxybenzoate
24dibromo6((E)(2((2nitrophenoxy)acetyl)hydrazinylidene)methyl)phenyl345trimethoxybenzoate
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2C=NNC(=O)COC3=CC=CC=C3(N+)(=O)(O))Br)Br
COc1c(OC)cc(cc1OC)C(=O)Oc1c(C=NNC(=O)COc2ccccc2(N+)(=O)(O))cc(cc1Br)Br
InChI=1SC25H21Br2N3O9c13520914(1021(362)24(20)373)25(32)392315(816(26)1117(23)27)12282922(31)133819754618(19)30(33)34h412H13H213H3(H2931)b2812+
MFCD00787009
ZINC000150352678
ZINC150622748
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