Vitas-M small molecule compound

2-bromo-N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide

Catalog ID
STK042439
SMILES S=C(N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-])NC(=O)c1ccccc1Br

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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 C18H16BrClN4O3S MW 483.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrClN4O3S/c19-14-4-2-1-3-13(14)17(25)21-18(28)23-9-7-22(8-10-23)16-6-5-12(24(26)27)11-15(16)20/h1-6,11H,7-10H2,(H,21,25,28)
InChIKey
PJMYFCXJLWOVAM-UHFFFAOYSA-N
Synonyms

(2BROMOPHENYL)N((4(2CHLORO4NITROPHENYL)PIPERAZINYL)THIOXOMETHYL)CARBOXAMIDE
2BROMON((4(2CHLORO4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
2BROMON(4(2CHLORO4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
C1CN(CCN1C2=C(C=C(C=C2)(N+)(=O)(O))Cl)C(=S)NC(=O)C3=CC=CC=C3Br
InChI=1SC18H16BrClN4O3Sc1914421313(14)17(25)2118(28)239722(81023)166512(24(26)27)1115(16)20h1611H710H2(H212528)
MFCD03030843
S=C(N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O))NC(=O)c1ccccc1Br
STK042439
ZINC000009246819
ZINC09246819
ZINC9246819

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Available files

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