Vitas-M small molecule compound
5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[4-(propan-2-yl)benzyl]aniline
Catalog ID
STK148721
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccc(cc1)C(C)C)[N+](=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 C27H32N4O4S MW 508.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O4S/c1-20(2)23-8-6-22(7-9-23)19-28-26-18-24(10-13-27(26)31(32)33)29-14-16-30(17-15-29)36(34,35)25-11-4-21(3)5-12-25/h4-13,18,20,28H,14-17,19H2,1-3H3InChIKey
UINWCUFUYRXJDV-UHFFFAOYSA-NSynonyms
5(4((4METHYLPHENYL)SULFONYL)PIPERAZIN1YL)2NITRON(4(PROPAN2YL)BENZYL)ANILINE
5(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)2NITRON((4PROPAN2YLPHENYL)METHYL)ANILINE
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4=CC=C(C=C4)C(C)C
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccc(cc1)C(C)C)(N+)(=O)(O)
InChI=1SC27H32N4O4Sc120(2)238622(7923)1928261824(101327(26)31(32)33)29141630(171529)36(3435)2511421(3)51225h413182028H141719H213H3
MFCD02187779
ZINC000008855098
ZINC08855098
ZINC8855098
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