Vitas-M small molecule compound

3-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid

Catalog ID
STL199161
SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=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 C12H16N2O4S MW 284.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O4S/c1-13-5-7-14(8-6-13)19(17,18)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)
InChIKey
VJVSNPXBBRHNRF-UHFFFAOYSA-N
Synonyms
380339-63-9
3((4METHYL1PIPERAZINYL)SULFONYL)BENZOICACID
3((4methylpiperazin1yl)sulfonyl)benzoicacid
3((4METHYLPIPERAZINYL)SULFONYL)BENZOICACID
3(4METHYL1PIPERAZINYLSULFONYL)BENZOICACID
3(4METHYLPIPERAZIN1YL)SULFONYLBENZOICACID
3(4METHYLPIPERAZIN1YLSULFONYL)BENZOICACID
3(4methylpiperazin4ium1yl)sulfonylbenzoate
3(4METHYLPIPERAZINE1SULFONYL)BENZOICACID
380339639
C(NH+)1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)(O)
InChI=1SC12H16N2O4Sc1135714(8613)19(1718)1142310(911)12(15)16h249H58H21H3(H1516)
MFCD02725037
ZINC000000796452
ZINC00796452
ZINC796452

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Available files

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