Vitas-M small molecule compound
3-bromo-N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide
Catalog ID
STK068183
SMILES Brc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)[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 C18H16BrClN4O3S MW 483.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrClN4O3S/c19-13-3-1-2-12(10-13)17(25)21-18(28)23-8-6-22(7-9-23)16-5-4-14(24(26)27)11-15(16)20/h1-5,10-11H,6-9H2,(H,21,25,28)InChIKey
XPZWFNCOUAUEMW-UHFFFAOYSA-NSynonyms
3BROMON((4(2CHLORO4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
3BROMON(4(2CHLORO4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
Brc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O)
C1CN(CCN1C2=C(C=C(C=C2)(N+)(=O)(O))Cl)C(=S)NC(=O)C3=CC(=CC=C3)Br
InChI=1SC18H16BrClN4O3Sc191331212(1013)17(25)2118(28)238622(7923)165414(24(26)27)1115(16)20h151011H69H2(H212528)
MFCD03032278
STK068183
ZINC000009554009
ZINC09554009
ZINC9554009
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