Vitas-M small molecule compound
5-{4-[(4-cyclohexylphenyl)sulfonyl]piperazin-1-yl}-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL432111
SMILES [O-][N+](=O)c1cc2c(cc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1CCCCC1)n(c(=O)n2C)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 C25H31N5O5S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O5S/c1-26-21-16-23(24(30(32)33)17-22(21)27(2)25(26)31)28-12-14-29(15-13-28)36(34,35)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,16-18H,3-7,12-15H2,1-2H3InChIKey
FDNKUZMLIGTYFM-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2c(cc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1CCCCC1)n(c(=O)n2C)C
5(4((4cyclohexylphenyl)sulfonyl)piperazin1yl)13dimethyl6nitro13dihydro2Hbenzimidazol2one
5(4(4CYCLOHEXYLPHENYL)SULFONYLPIPERAZIN1YL)13DIMETHYL6NITROBENZIMIDAZOL2ONE
CN1C2=CC(=C(C=C2N(C1=O)C)(N+)(=O)(O))N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5CCCCC5
InChI=1SC25H31N5O5Sc126211623(24(30(32)33)1722(21)27(2)25(26)31)28121429(151328)36(3435)2010819(91120)186435718h8111618H371215H212H3
MFCD06125721
ZINC000032099717
ZINC32099717
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