Vitas-M small molecule compound
3-nitro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
Catalog ID
STK369173
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccccc1
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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 C16H13Cl3N4O3S MW 447.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl3N4O3S/c17-16(18,19)14(22-15(27)20-11-6-2-1-3-7-11)21-13(24)10-5-4-8-12(9-10)23(25)26/h1-9,14H,(H,21,24)(H2,20,22,27)InChIKey
STAHKGNKLAIAAJ-UHFFFAOYSA-NSynonyms
(3NITROPHENYL)N(222TRICHLORO1(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHYL)CARBOXAMIDE
3nitroN(222trichloro1((phenylcarbamothioyl)amino)ethyl)benzamide
3NITRON(222TRICHLORO1(PHENYLCARBAMOTHIOYLAMINO)ETHYL)BENZAMIDE
C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC16H13Cl3N4O3Sc1716(1819)14(2215(27)20116213711)2113(24)1054812(910)23(25)26h1914H(H2124)(H2202227)
MFCD00361099
S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)(N+)(=O)(O))Nc1ccccc1
ZINC000000939598
ZINC000000939599
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