Vitas-M small molecule compound
N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-2-nitrobenzamide
Catalog ID
STK369551
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(cc1)Br
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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 C16H12BrCl3N4O3S MW 526.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrCl3N4O3S/c17-9-5-7-10(8-6-9)21-15(28)23-14(16(18,19)20)22-13(25)11-3-1-2-4-12(11)24(26)27/h1-8,14H,(H,22,25)(H2,21,23,28)InChIKey
VVGIVMRCTZOXSH-UHFFFAOYSA-NSynonyms
C1=CC=C(C(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Br)(N+)(=O)(O)
InChI=1SC16H12BrCl3N4O3Sc1795710(869)2115(28)2314(16(1819)20)2213(25)11312412(11)24(26)27h1814H(H2225)(H2212328)
MFCD00349934
N((1R)1(((4BROMOPHENYL)CARBAMOTHIOYL)AMINO)222TRICHLOROETHYL)2NITROBENZAMIDE
N((1S)1(((4BROMOPHENYL)CARBAMOTHIOYL)AMINO)222TRICHLOROETHYL)2NITROBENZAMIDE
N(1(((4bromophenyl)carbamothioyl)amino)222trichloroethyl)2nitrobenzamide
N(1((4BROMOPHENYL)CARBAMOTHIOYLAMINO)222TRICHLOROETHYL)2NITROBENZAMIDE
S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1(N+)(=O)(O))Nc1ccc(cc1)Br
ZINC000001232096
ZINC000001232097
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