Vitas-M small molecule compound

4-{(E)-[2-({4-[(4-methylphenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}phenolate

Catalog ID
STK561489
SMILES [O-]c1ccc(cc1)/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 C20H24N4O4S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O4S/c1-16-2-8-19(9-3-16)29(27,28)24-12-10-23(11-13-24)15-20(26)22-21-14-17-4-6-18(25)7-5-17/h2-9,14,25H,10-13,15H2,1H3,(H,22,26)/b21-14+
InChIKey
RWNIRPHLIHAHBE-KGENOOAVSA-N
Synonyms

(O)c1ccc(cc1)C=NNC(=O)C(NH+)1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
4((E)((2(4(4methylphenyl)sulfonylpiperazin1ium1yl)acetyl)hydrazinylidene)methyl)phenolate
4((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)(O)
InChI=1SC20H24N4O4Sc1162819(9316)29(2728)24121023(111324)1520(26)222114174618(25)7517h291425H101315H21H3(H2226)b2114+
MFCD18243807
ZINC000035103694

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Available files

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