Vitas-M small molecule compound
2-{(E)-[2-({4-[(4-methylphenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}-6-(prop-2-en-1-yl)phenolate
Catalog ID
STL037537
SMILES C=CCc1cccc(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 C23H28N4O4S MW 456.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O4S/c1-3-5-19-6-4-7-20(23(19)29)16-24-25-22(28)17-26-12-14-27(15-13-26)32(30,31)21-10-8-18(2)9-11-21/h3-4,6-11,16,29H,1,5,12-15,17H2,2H3,(H,25,28)/b24-16+InChIKey
OPSZCEMAOYHKPP-LFVJCYFKSA-NSynonyms
2((E)((2(4(4methylphenyl)sulfonylpiperazin1ium1yl)acetyl)hydrazinylidene)methyl)6prop2enylphenolate
2((E)(2((4((4methylphenyl)sulfonyl)piperazin1ium1yl)acetyl)hydrazinylidene)methyl)6(prop2en1yl)phenolate
C=CCc1cccc(c1(O))C=NNC(=O)C(NH+)1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
CC1=CC=C(C=C1)S(=O)(=O)N2CC(NH+)(CC2)CC(=O)NN=CC3=C(C(=CC=C3)CC=C)(O)
InChI=1SC23H28N4O4Sc1351964720(23(19)29)16242522(28)1726121427(151326)32(3031)2110818(2)91121h346111629H15121517H22H3(H2528)b2416+
MFCD18247446
ZINC000017123496
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