Vitas-M small molecule compound

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

Catalog ID
STK172446
SMILES O=c1n(C)c2c(n1C)cc(c(c2)N1CCN(CC1)S(=O)(=O)c1ccccc1)[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 C19H21N5O5S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O5S/c1-20-15-12-17(18(24(26)27)13-16(15)21(2)19(20)25)22-8-10-23(11-9-22)30(28,29)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKey
CICNJQWJQRQCRV-UHFFFAOYSA-N
Synonyms

13DIMETHYL5NITRO6(4(PHENYLSULFONYL)1PIPERAZINYL)13DIHYDRO2HBENZIMIDAZOL2ONE
13DIMETHYL5NITRO6(4(PHENYLSULFONYL)PIPERAZIN1YL)13DIHYDRO2HBENZIMIDAZOL2ONE
13DIMETHYL5NITRO6(4(PHENYLSULFONYL)PIPERAZINYL)3HYDROBENZIMIDAZOL2ONE
5(4(BENZENESULFONYL)PIPERAZIN1YL)13DIMETHYL6NITROBENZIMIDAZOL2ONE
CN1C2=CC(=C(C=C2N(C1=O)C)(N+)(=O)(O))N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
InChI=1SC19H21N5O5Sc120151217(18(24(26)27)1316(15)21(2)19(20)25)2281023(11922)30(2829)146435714h371213H811H212H3
MFCD04220508
O=c1n(C)c2c(n1C)cc(c(c2)N1CCN(CC1)S(=O)(=O)c1ccccc1)(N+)(=O)(O)
ZINC000008682733
ZINC08682733
ZINC8682733

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.