Vitas-M small molecule compound
5-[4-(benzylsulfonyl)piperazin-1-yl]-N-methyl-2-nitroaniline
Catalog ID
STK171963
SMILES CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
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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 C18H22N4O4S MW 390.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4S/c1-19-17-13-16(7-8-18(17)22(23)24)20-9-11-21(12-10-20)27(25,26)14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3InChIKey
ZTYDILIYRZHJHK-UHFFFAOYSA-NSynonyms
5(4(BENZYLSULFONYL)PIPERAZIN1YL)NMETHYL2NITROANILINE
5(4BENZYLSULFONYLPIPERAZIN1YL)NMETHYL2NITROANILINE
CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)(N+)(=O)(O)
CNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)Cc1ccccc1
InChI=1SC18H22N4O4Sc119171316(7818(17)22(23)24)2091121(121020)27(2526)14155324615h281319H91214H21H3
MFCD06093804
ZINC000004703645
ZINC04703645
ZINC4703645
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