Vitas-M small molecule compound

N-[1-({[4-(acetylamino)phenyl]carbamothioyl}amino)-2,2,2-trichloroethyl]-2-nitrobenzamide

Catalog ID
STK809681
SMILES CC(=O)Nc1ccc(cc1)NC(=S)NC(C(Cl)(Cl)Cl)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 C18H16Cl3N5O4S MW 504.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl3N5O4S/c1-10(27)22-11-6-8-12(9-7-11)23-17(31)25-16(18(19,20)21)24-15(28)13-4-2-3-5-14(13)26(29)30/h2-9,16H,1H3,(H,22,27)(H,24,28)(H2,23,25,31)
InChIKey
MQKWFGKVKUDMJR-UHFFFAOYSA-N
Synonyms

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
CC(=O)Nc1ccc(cc1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC18H16Cl3N5O4Sc110(27)22116812(9711)2317(31)2516(18(1920)21)2415(28)13423514(13)26(29)30h2916H1H3(H2227)(H2428)(H2232531)
MFCD00331725
N((1S)1(((4(ACETYLAMINO)PHENYL)CARBAMOTHIOYL)AMINO)222TRICHLOROETHYL)2NITROBENZAMIDE
N(1(((4(acetylamino)phenyl)carbamothioyl)amino)222trichloroethyl)2nitrobenzamide
N(1((4ACETAMIDOPHENYL)CARBAMOTHIOYLAMINO)222TRICHLOROETHYL)2NITROBENZAMIDE
ZINC000002682851
ZINC000002682852

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.