Vitas-M small molecule compound
4-[(Z)-{2-[(3-bromophenyl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl benzenesulfonate
Catalog ID
STK977772
SMILES COc1cc(/C=N\NC(=O)c2cccc(c2)Br)ccc1OS(=O)(=O)c1ccccc1
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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 C21H17BrN2O5S MW 489.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O5S/c1-28-20-12-15(14-23-24-21(25)16-6-5-7-17(22)13-16)10-11-19(20)29-30(26,27)18-8-3-2-4-9-18/h2-14H,1H3,(H,24,25)/b23-14-InChIKey
NTNFIGIQXLFKNL-UCQKPKSFSA-NSynonyms
(4((Z)((3BROMOBENZOYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)BENZENESULFONATE
4((Z)(2((3bromophenyl)carbonyl)hydrazinylidene)methyl)2methoxyphenylbenzenesulfonate
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)Br)OS(=O)(=O)C3=CC=CC=C3
COc1cc(C=NNC(=O)c2cccc(c2)Br)ccc1OS(=O)(=O)c1ccccc1
InChI=1SC21H17BrN2O5Sc128201215(14232421(25)1665717(22)1316)101119(20)2930(2627)188324918h214H1H3(H2425)b2314
MFCD20731755
ZINC000033347791
ZINC02077128
ZINC2077128
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