Vitas-M small molecule compound

4-bromo-2-[(E)-{2-[(5-bromopyridin-3-yl)carbonyl]hydrazinylidene}methyl]phenyl 4-nitrobenzoate

Catalog ID
STK672101
SMILES Brc1ccc(c(c1)/C=N/NC(=O)c1cncc(c1)Br)OC(=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 C20H12Br2N4O5 MW 548.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12Br2N4O5/c21-15-3-6-18(31-20(28)12-1-4-17(5-2-12)26(29)30)13(7-15)10-24-25-19(27)14-8-16(22)11-23-9-14/h1-11H,(H,25,27)/b24-10+
InChIKey
DTGPFKORALHECR-YSURURNPSA-N
Synonyms

(4bromo2((E)((5bromopyridine3carbonyl)hydrazinylidene)methyl)phenyl)4nitrobenzoate
2((1E)2((5BROMO(3PYRIDYL))CARBONYLAMINO)2AZAVINYL)4BROMOPHENYL4NITROBENZOATE
4BROMO2((E)(2((5BROMOPYRIDIN3YL)CARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL4NITROBENZOATE
Brc1ccc(c(c1)C=NNC(=O)c1cncc(c1)Br)OC(=O)c1ccc(cc1)(N+)(=O)(O)
C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC(=CN=C3)Br)(N+)(=O)(O)
InChI=1SC20H12Br2N4O5c21153618(3120(28)121417(5212)26(29)30)13(715)10242519(27)14816(22)1123914h111H(H2527)b2410+
MFCD00822437
ZINC000003115488
ZINC102777094

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Available files

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