Vitas-M small molecule compound
3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
Catalog ID
STK808444
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1cc(C)ccc1C
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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 C18H17Cl3N4O3S MW 475.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl3N4O3S/c1-10-6-7-11(2)14(8-10)22-17(29)24-16(18(19,20)21)23-15(26)12-4-3-5-13(9-12)25(27)28/h3-9,16H,1-2H3,(H,23,26)(H2,22,24,29)InChIKey
TYBXMWREHWPMCV-UHFFFAOYSA-NSynonyms
3NITRON((1R)222TRICHLORO1(((25DIMETHYLPHENYL)CARBAMOTHIOYL)AMINO)ETHYL)BENZAMIDE
3nitroN(222trichloro1(((25dimethylphenyl)carbamothioyl)amino)ethyl)benzamide
3NITRON(222TRICHLORO1((25DIMETHYLPHENYL)CARBAMOTHIOYLAMINO)ETHYL)BENZAMIDE
CC1=CC(=C(C=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC18H17Cl3N4O3Sc1106711(2)14(810)2217(29)2416(18(1920)21)2315(26)1243513(912)25(27)28h3916H12H3(H2326)(H2222429)
MFCD00340072
S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)(N+)(=O)(O))Nc1cc(C)ccc1C
ZINC000001232142
ZINC000001232143
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