Vitas-M small molecule compound

5-(4-{[4-(butan-2-yl)phenyl]sulfonyl}piperazin-1-yl)-3-methyl-5-oxopentanoic acid

Catalog ID
STK476538
SMILES CCC(c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CC(CC(=O)O)C)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 C20H30N2O5S MW 410.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30N2O5S/c1-4-16(3)17-5-7-18(8-6-17)28(26,27)22-11-9-21(10-12-22)19(23)13-15(2)14-20(24)25/h5-8,15-16H,4,9-14H2,1-3H3,(H,24,25)
InChIKey
ZMKUGLOVVUPMOZ-UHFFFAOYSA-N
Synonyms

3METHYL5(4((4(METHYLPROPYL)PHENYL)SULFONYL)PIPERAZINYL)5OXOPENTANOICACID
5(4((4(butan2yl)phenyl)sulfonyl)piperazin1yl)3methyl5oxopentanoicacid
5(4(4BUTAN2YLPHENYL)SULFONYLPIPERAZIN1YL)3METHYL5OXOPENTANOICACID
CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)CC(=O)O
InChI=1SC20H30N2O5Sc1416(3)175718(8617)28(2627)2211921(101222)19(23)1315(2)1420(24)25h581516H4914H213H3(H2425)
MFCD06024107
ZINC000006731115
ZINC000006731118

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Available files

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