Vitas-M small molecule compound

1,3-dimethyl-5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-6-nitro-1,3-dihydro-2H-benzimidazol-2-one

Catalog ID
STK205910
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc2n(C)c(=O)n(c2cc1[N+](=O)[O-])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 C20H23N5O5S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O5S/c1-14-4-6-15(7-5-14)31(29,30)24-10-8-23(9-11-24)18-12-16-17(13-19(18)25(27)28)22(3)20(26)21(16)2/h4-7,12-13H,8-11H2,1-3H3
InChIKey
OPJKMMFFRDLOMZ-UHFFFAOYSA-N
Synonyms

13DIMETHYL5(4((4METHYLPHENYL)SULFONYL)1PIPERAZINYL)6NITRO13DIHYDRO2HBENZIMIDAZOL2ONE
13DIMETHYL5(4((4METHYLPHENYL)SULFONYL)PIPERAZIN1YL)6NITRO13DIHYDRO2HBENZIMIDAZOL2ONE
13DIMETHYL5(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)6NITROBENZIMIDAZOL2ONE
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc2n(C)c(=O)n(c2cc1(N+)(=O)(O))C
InChI=1SC20H23N5O5Sc1144615(7514)31(2930)2410823(91124)18121617(1319(18)25(27)28)22(3)20(26)21(16)2h471213H811H213H3
MFCD06154935
ZINC000008670122
ZINC08670122
ZINC8670122

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Available files

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