Vitas-M small molecule compound

1-methyl-5-nitro-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}-1H-benzimidazole

Catalog ID
STK848257
SMILES [O-][N+](=O)c1ccc2c(c1)nc(n2C)CN1CCN(CC1)S(=O)(=O)c1ccccc1

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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 C19H21N5O4S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O4S/c1-21-18-8-7-15(24(25)26)13-17(18)20-19(21)14-22-9-11-23(12-10-22)29(27,28)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKey
QMNCZMCFJUKLNK-UHFFFAOYSA-N
Synonyms
879777-53-4
(O)(N+)(=O)c1ccc2c(c1)nc(n2C)CN1CCN(CC1)S(=O)(=O)c1ccccc1
1methyl5nitro2((4(phenylsulfonyl)piperazin1yl)methyl)1Hbenzimidazole
1methyl5nitro2((4(phenylsulfonyl)piperazin1yl)methyl)1Hbenzo(d)imidazole
2((4(BENZENESULFONYL)PIPERAZIN1YL)METHYL)1METHYL5NITROBENZIMIDAZOLE
879777534
CN1C2=C(C=C(C=C2)(N+)(=O)(O))N=C1CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
InChI=1SC19H21N5O4Sc121188715(24(25)26)1317(18)2019(21)142291123(121022)29(2728)165324616h2813H91214H21H3
MFCD06604820
ZINC000013540030
ZINC13540030

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Available files

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