Vitas-M small molecule compound

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

Catalog ID
STL432065
SMILES COc1ccc(cc1)C(=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 C21H23N5O5 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5/c1-22-16-12-18(19(26(29)30)13-17(16)23(2)21(22)28)24-8-10-25(11-9-24)20(27)14-4-6-15(31-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKey
LDLTZCNBHADFIS-UHFFFAOYSA-N
Synonyms

5(4((4methoxyphenyl)carbonyl)piperazin1yl)13dimethyl6nitro13dihydro2Hbenzimidazol2one
5(4(4METHOXYBENZOYL)PIPERAZIN1YL)13DIMETHYL6NITROBENZIMIDAZOL2ONE
CN1C2=CC(=C(C=C2N(C1=O)C)(N+)(=O)(O))N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=O)N1CCN(CC1)c1cc2c(cc1(N+)(=O)(O))n(c(=O)n2C)C
InChI=1SC21H23N5O5c122161218(19(26(29)30)1317(16)23(2)21(22)28)2481025(11924)20(27)144615(313)7514h471213H811H213H3
MFCD06125695
ZINC000032099702
ZINC32099702

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Available files

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