Vitas-M small molecule compound
5-bromo-N'-{(E)-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-benzofuran-2-carbohydrazide
Catalog ID
STK198338
SMILES COc1cc(ccc1n1c(C)cc(c1C)/C=N/NC(=O)c1cc2c(o1)ccc(c2)Br)[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 C23H19BrN4O5 MW 511.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O5/c1-13-8-16(14(2)27(13)19-6-5-18(28(30)31)11-21(19)32-3)12-25-26-23(29)22-10-15-9-17(24)4-7-20(15)33-22/h4-12H,1-3H3,(H,26,29)/b25-12+InChIKey
XIEVIBMQECCSRB-BRJLIKDPSA-NSynonyms
5BROMON((E)(1(2METHOXY4NITROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1BENZOFURAN2CARBOHYDRAZIDE
5BROMON((E)(1(2METHOXY4NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENEAMINO)1BENZOFURAN2CARBOXAMIDE
CC1=CC(=C(N1C2=C(C=C(C=C2)(N+)(=O)(O))OC)C)C=NNC(=O)C3=CC4=C(O3)C=CC(=C4)Br
COc1cc(ccc1n1c(C)cc(c1C)C=NNC(=O)c1cc2c(o1)ccc(c2)Br)(N+)(=O)(O)
InChI=1SC23H19BrN4O5c113816(14(2)27(13)196518(28(30)31)1121(19)323)12252623(29)221015917(24)4720(15)3322h412H13H3(H2629)b2512+
MFCD04530345
ZINC000000681257
ZINC17150222
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