Vitas-M small molecule compound
5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(4-phenylbutan-2-yl)aniline
Catalog ID
STK027441
SMILES CC(Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)CCc1ccccc1
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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 C27H32N4O4S MW 508.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O4S/c1-21-8-13-25(14-9-21)36(34,35)30-18-16-29(17-19-30)24-12-15-27(31(32)33)26(20-24)28-22(2)10-11-23-6-4-3-5-7-23/h3-9,12-15,20,22,28H,10-11,16-19H2,1-2H3InChIKey
PMYKUTWCASUAMF-UHFFFAOYSA-NSynonyms
2nitroN(4phenylbutan2yl)5(4tosylpiperazin1yl)aniline
5(4((4METHYLPHENYL)SULFONYL)PIPERAZIN1YL)2NITRON(4PHENYLBUTAN2YL)ANILINE
5(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)2NITRON(4PHENYLBUTAN2YL)ANILINE
CC(Nc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)CCc1ccccc1
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NC(C)CCC4=CC=CC=C4
InChI=1SC27H32N4O4Sc12181325(14921)36(3435)30181629(171930)24121527(31(32)33)26(2024)2822(2)1011236435723h391215202228H10111619H212H3
MFCD02626810
STK027441
ZINC000009113679
ZINC000009113681
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