Vitas-M small molecule compound
2-ethoxy-6-{(E)-[2-({4-[(4-methylphenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL148574
SMILES CCOc1cccc(c1[O-])/C=N/NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)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 C22H28N4O5S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O5S/c1-3-31-20-6-4-5-18(22(20)28)15-23-24-21(27)16-25-11-13-26(14-12-25)32(29,30)19-9-7-17(2)8-10-19/h4-10,15,28H,3,11-14,16H2,1-2H3,(H,24,27)/b23-15+InChIKey
BILVTGUCMXWASV-HZHRSRAPSA-NSynonyms
2ethoxy6((E)((2(4(4methylphenyl)sulfonylpiperazin1ium1yl)acetyl)hydrazinylidene)methyl)phenolate
2ethoxy6((E)(2((4((4methylphenyl)sulfonyl)piperazin1ium1yl)acetyl)hydrazinylidene)methyl)phenolate
CCOC1=CC=CC(=C1(O))C=NNC(=O)C(NH+)2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
CCOc1cccc(c1(O))C=NNC(=O)C(NH+)1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
InChI=1SC22H28N4O5Sc13312064518(22(20)28)15232421(27)1625111326(141225)32(2930)199717(2)81019h4101528H3111416H212H3(H2427)b2315+
MFCD20755423
ZINC000036485118
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