Vitas-M small molecule compound
4-[4-(methylsulfonyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Catalog ID
STK778212
SMILES N#Cc1cc(N2CCN(CC2)S(=O)(=O)C)c(cc1C#N)[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 C13H13N5O4S MW 335.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O4S/c1-23(21,22)17-4-2-16(3-5-17)12-6-10(8-14)11(9-15)7-13(12)18(19)20/h6-7H,2-5H2,1H3InChIKey
RHHOZIQDJGONFZ-UHFFFAOYSA-NSynonyms
4(4(methylsulfonyl)piperazin1yl)5nitrobenzene12dicarbonitrile
4(4METHYLSULFONYLPIPERAZIN1YL)5NITROBENZENE12DICARBONITRILE
CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O)
InChI=1SC13H13N5O4Sc123(2122)174216(3517)12610(814)11(915)713(12)18(19)20h67H25H21H3
MFCD05855970
N#Cc1cc(N2CCN(CC2)S(=O)(=O)C)c(cc1C#N)(N+)(=O)(O)
ZINC000004628952
ZINC04628952
ZINC4628952
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