Vitas-M small molecule compound
4-(5-chloro-2-methylphenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide
Catalog ID
STK416282
SMILES Clc1ccc(c(c1)N1CCN(CC1)C(=S)Nc1ccc(cc1)[N+](=O)[O-])C
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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 C18H19ClN4O2S MW 390.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN4O2S/c1-13-2-3-14(19)12-17(13)21-8-10-22(11-9-21)18(26)20-15-4-6-16(7-5-15)23(24)25/h2-7,12H,8-11H2,1H3,(H,20,26)InChIKey
BHOHNWUESTVKQW-UHFFFAOYSA-NSynonyms
(4(5CHLORO2METHYLPHENYL)PIPERAZINYL)((4NITROPHENYL)AMINO)METHANE1THIONE
4(5chloro2methylphenyl)N(4nitrophenyl)piperazine1carbothioamide
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)(N+)(=O)(O)
Clc1ccc(c(c1)N1CCN(CC1)C(=S)Nc1ccc(cc1)(N+)(=O)(O))C
InChI=1SC18H19ClN4O2Sc1132314(19)1217(13)2181022(11921)18(26)20154616(7515)23(24)25h2712H811H21H3(H2026)
MFCD07080227
ZINC000007561277
ZINC07561277
ZINC7561277
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