Vitas-M small molecule compound
3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide
Catalog ID
STK369581
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1cc(Cl)ccc1Cl
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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 C16H11Cl5N4O3S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Cl5N4O3S/c17-9-4-5-11(18)12(7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)InChIKey
LUXSWMIASWKIGH-UHFFFAOYSA-NSynonyms
3nitroN(222trichloro1(((25dichlorophenyl)carbamothioyl)amino)ethyl)benzamide
3NITRON(222TRICHLORO1((25DICHLOROPHENYL)CARBAMOTHIOYLAMINO)ETHYL)BENZAMIDE
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=CC(=C2)Cl)Cl
InChI=1SC16H11Cl5N4O3Sc1794511(18)12(79)2215(29)2414(16(1920)21)2313(26)821310(68)25(27)28h1714H(H2326)(H2222429)
MFCD00266328
S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)(N+)(=O)(O))Nc1cc(Cl)ccc1Cl
ZINC000000939645
ZINC000000939646
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