Vitas-M small molecule compound

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

Catalog ID
STL044432
SMILES O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccccc1C(=O)[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 C20H21BrN4O5S MW 509.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4O5S/c21-16-5-7-17(8-6-16)31(29,30)25-11-9-24(10-12-25)14-19(26)23-22-13-15-3-1-2-4-18(15)20(27)28/h1-8,13H,9-12,14H2,(H,23,26)(H,27,28)/b22-13+
InChIKey
LGGFJQMQATZRHU-LPYMAVHISA-N
Synonyms
488823-09-2
2((E)((2(4(4BROMOPHENYL)SULFONYLPIPERAZIN1IUM1YL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
2((E)((2(4(4BROMOPHENYL)SULFONYLPIPERAZIN1YL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2((4((4bromophenyl)sulfonyl)piperazin1ium1yl)acetyl)hydrazinylidene)methyl)benzoate
488823092
C1CN(CCN1CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br
InChI=1SC20H21BrN4O5Sc21165717(8616)31(2930)2511924(101225)1419(26)23221315312418(15)20(27)28h1813H91214H2(H2326)(H2728)b2213+
MFCD03293757
O=C(C(NH+)1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)NN=Cc1ccccc1C(=O)(O)
ZINC000006023306
ZINC15986594

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Available files

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