Vitas-M small molecule compound
N-{[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK259651
SMILES CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1[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 C22H25N5O4S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S/c1-2-5-20(28)26-14-12-25(13-15-26)17-10-8-16(9-11-17)23-22(32)24-21(29)18-6-3-4-7-19(18)27(30)31/h3-4,6-11H,2,5,12-15H2,1H3,(H2,23,24,29,32)InChIKey
GTXRPKIWJGBONZ-UHFFFAOYSA-NSynonyms
CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC22H25N5O4Sc12520(28)26141225(131526)1710816(91117)2322(32)2421(29)18634719(18)27(30)31h34611H251215H21H3(H223242932)
MFCD08592912
N(((4(4BUTANOYLPIPERAZINYL)PHENYL)AMINO)THIOXOMETHYL)(2NITROPHENYL)CARBOXAMIDE
N((4(4butanoylpiperazin1yl)phenyl)carbamothioyl)2nitrobenzamide
ZINC000004121790
ZINC04121790
ZINC4121790
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