Vitas-M small molecule compound
5-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL432093
SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc2c(cc1[N+](=O)[O-])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 C20H23N5O6S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O6S/c1-21-16-12-18(19(25(27)28)13-17(16)22(2)20(21)26)23-8-10-24(11-9-23)32(29,30)15-6-4-14(31-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3InChIKey
PBONNSQMIANBDF-UHFFFAOYSA-NSynonyms
5(4((4methoxyphenyl)sulfonyl)piperazin1yl)13dimethyl6nitro13dihydro2Hbenzimidazol2one
5(4(4METHOXYPHENYL)SULFONYLPIPERAZIN1YL)13DIMETHYL6NITROBENZIMIDAZOL2ONE
CN1C2=CC(=C(C=C2N(C1=O)C)(N+)(=O)(O))N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc2c(cc1(N+)(=O)(O))n(c(=O)n2C)C
InChI=1SC20H23N5O6Sc121161218(19(25(27)28)1317(16)22(2)20(21)26)2381024(11923)32(2930)156414(313)5715h471213H811H213H3
MFCD06005467
ZINC000016400800
ZINC16400800
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