Vitas-M small molecule compound
5-{4-[(3-fluoro-4-methoxyphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline
Catalog ID
STK735457
SMILES COc1ccc(cc1F)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)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 C25H27FN4O5S MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN4O5S/c1-18(19-6-4-3-5-7-19)27-23-16-20(8-10-24(23)30(31)32)28-12-14-29(15-13-28)36(33,34)21-9-11-25(35-2)22(26)17-21/h3-11,16-18,27H,12-15H2,1-2H3InChIKey
IELTWNYBYJVGSQ-UHFFFAOYSA-NSynonyms
2FLUORO1METHOXY4((4(4NITRO3((PHENYLETHYL)AMINO)PHENYL)PIPERAZINYL)SULFONYL)BENZENE
5(4((3fluoro4methoxyphenyl)sulfonyl)piperazin1yl)2nitroN(1phenylethyl)aniline
5(4(3FLUORO4METHOXYPHENYL)SULFONYLPIPERAZIN1YL)2NITRON(1PHENYLETHYL)ANILINE
CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)F)(N+)(=O)(O)
COc1ccc(cc1F)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)(N+)(=O)(O)
InChI=1SC25H27FN4O5Sc118(196435719)27231620(81024(23)30(31)32)28121429(151328)36(3334)2191125(352)22(26)1721h311161827H1215H212H3
MFCD03133732
ZINC000008856950
ZINC000008857527
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