Vitas-M small molecule compound
2-ethoxy-4-{(E)-[2-({4-[(4-methylphenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STK562995
SMILES CCOc1cc(/C=N/NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)ccc1[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 C22H28N4O5S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O5S/c1-3-31-21-14-18(6-9-20(21)27)15-23-24-22(28)16-25-10-12-26(13-11-25)32(29,30)19-7-4-17(2)5-8-19/h4-9,14-15,27H,3,10-13,16H2,1-2H3,(H,24,28)/b23-15+InChIKey
KRPIVIAMDQKBJO-HZHRSRAPSA-NSynonyms
2ethoxy4((E)((2(4(4methylphenyl)sulfonylpiperazin1ium1yl)acetyl)hydrazinylidene)methyl)phenolate
2ethoxy4((E)(2((4((4methylphenyl)sulfonyl)piperazin1ium1yl)acetyl)hydrazinylidene)methyl)phenolate
CCOC1=C(C=CC(=C1)C=NNC(=O)C(NH+)2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)(O)
CCOc1cc(C=NNC(=O)C(NH+)2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)ccc1(O)
InChI=1SC22H28N4O5Sc1331211418(6920(21)27)15232422(28)1625101226(131125)32(2930)197417(2)5819h49141527H3101316H212H3(H2428)b2315+
MFCD18244178
ZINC000036489338
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