Vitas-M small molecule compound
3-nitro-N-(2,2,2-trichloro-1-{[(2-chlorophenyl)carbamothioyl]amino}ethyl)benzamide
Catalog ID
STK369341
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccccc1Cl
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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 C16H12Cl4N4O3S MW 482.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl4N4O3S/c17-11-6-1-2-7-12(11)21-15(28)23-14(16(18,19)20)22-13(25)9-4-3-5-10(8-9)24(26)27/h1-8,14H,(H,22,25)(H2,21,23,28)InChIKey
LVPSODJDFAQMNB-UHFFFAOYSA-NSynonyms
3nitroN(222trichloro1(((2chlorophenyl)carbamothioyl)amino)ethyl)benzamide
3NITRON(222TRICHLORO1((2CHLOROPHENYL)CARBAMOTHIOYLAMINO)ETHYL)BENZAMIDE
3NITRON(222TRICHLORO1(3(2CHLOROPHENYL)THIOUREIDO)ETHYL)BENZAMIDE
C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O))Cl
InChI=1SC16H12Cl4N4O3Sc1711612712(11)2115(28)2314(16(1819)20)2213(25)943510(89)24(26)27h1814H(H2225)(H2212328)
MFCD00349724
S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)(N+)(=O)(O))Nc1ccccc1Cl
ZINC000003183890
ZINC000003183892
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