Vitas-M small molecule compound
4-{(1Z)-1-[2-({4-[(4-bromophenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]ethyl}-2-methoxyphenolate
Catalog ID
STK559201
SMILES COc1cc(ccc1[O-])/C(=N\NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)/C
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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 C21H25BrN4O5S MW 525.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN4O5S/c1-15(16-3-8-19(27)20(13-16)31-2)23-24-21(28)14-25-9-11-26(12-10-25)32(29,30)18-6-4-17(22)5-7-18/h3-8,13,27H,9-12,14H2,1-2H3,(H,24,28)/b23-15-InChIKey
QEFRRFZLEQJUCQ-HAHDFKILSA-NSynonyms
497246-82-94((1Z)1(2((4((4bromophenyl)sulfonyl)piperazin1ium1yl)acetyl)hydrazinylidene)ethyl)2methoxyphenolate
4((Z)N((2(4(4BROMOPHENYL)SULFONYLPIPERAZIN1IUM1YL)ACETYL)AMINO)CMETHYLCARBONIMIDOYL)2METHOXYPHENOLATE
497246829
COc1cc(ccc1(O))C(=NNC(=O)C(NH+)1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)C
InChI=1SC21H25BrN4O5Sc115(163819(27)20(1316)312)232421(28)142591126(121025)32(2930)186417(22)5718h381327H91214H212H3(H2428)b2315
MFCD03298103
ZINC000100872540
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