Vitas-M small molecule compound
2,6-dimethoxy-4-{(E)-[2-({4-[(4-methylphenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL040061
SMILES COc1cc(/C=N/NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)cc(c1[O-])OC
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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 C22H28N4O6S MW 476.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O6S/c1-16-4-6-18(7-5-16)33(29,30)26-10-8-25(9-11-26)15-21(27)24-23-14-17-12-19(31-2)22(28)20(13-17)32-3/h4-7,12-14,28H,8-11,15H2,1-3H3,(H,24,27)/b23-14+InChIKey
YCNWBFGHEHONKT-OEAKJJBVSA-NSynonyms
26dimethoxy4((E)((2(4(4methylphenyl)sulfonylpiperazin1ium1yl)acetyl)hydrazinylidene)methyl)phenolate
26dimethoxy4((E)(2((4((4methylphenyl)sulfonyl)piperazin1ium1yl)acetyl)hydrazinylidene)methyl)phenolate
CC1=CC=C(C=C1)S(=O)(=O)N2CC(NH+)(CC2)CC(=O)NN=CC3=CC(=C(C(=C3)OC)(O))OC
COc1cc(C=NNC(=O)C(NH+)2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)cc(c1(O))OC
InChI=1SC22H28N4O6Sc1164618(7516)33(2930)2610825(91126)1521(27)242314171219(312)22(28)20(1317)323h47121428H81115H213H3(H2427)b2314+
MFCD18247945
ZINC000036542282
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