Vitas-M small molecule compound
N-benzyl-5-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-2-nitroaniline
Catalog ID
STK174908
SMILES COc1cc(ccc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[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 C25H28N4O6S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O6S/c1-34-24-11-9-21(17-25(24)35-2)36(32,33)28-14-12-27(13-15-28)20-8-10-23(29(30)31)22(16-20)26-18-19-6-4-3-5-7-19/h3-11,16-17,26H,12-15,18H2,1-2H3InChIKey
BPRXCDVEWGNRFU-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4=CC=CC=C4)OC
COc1cc(ccc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O)
InChI=1SC25H28N4O6Sc1342411921(1725(24)352)36(3233)28141227(131528)2081023(29(30)31)22(1620)2618196435719h311161726H121518H212H3
MFCD03175115
NBENZYL5(4((34DIMETHOXYPHENYL)SULFONYL)PIPERAZIN1YL)2NITROANILINE
NBENZYL5(4(34DIMETHOXYPHENYL)SULFONYLPIPERAZIN1YL)2NITROANILINE
ZINC000009892415
ZINC09892415
ZINC9892415
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