Vitas-M small molecule compound
[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone
Catalog ID
STL287658
SMILES O=C(c1ccc(c(c1)C)[N+](=O)[O-])N1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2
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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 C19H18N4O5S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O5S/c1-13-12-14(6-7-16(13)23(25)26)19(24)22-10-8-21(9-11-22)18-15-4-2-3-5-17(15)29(27,28)20-18/h2-7,12H,8-11H2,1H3InChIKey
CDFKSDVQQMRKMB-UHFFFAOYSA-NSynonyms
(4(11dioxido12benzothiazol3yl)piperazin1yl)(3methyl4nitrophenyl)methanone
(4(11DIOXO12BENZOTHIAZOL3YL)PIPERAZIN1YL)(3METHYL4NITROPHENYL)METHANONE
CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)(N+)(=O)(O)
InChI=1SC19H18N4O5Sc1131214(6716(13)23(25)26)19(24)2210821(91122)1815423517(15)29(2728)2018h2712H811H21H3
MFCD02111485
O=C(c1ccc(c(c1)C)(N+)(=O)(O))N1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2
ZINC000003583359
ZINC3583359
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