Vitas-M small molecule compound
4-(3-hydroxyphenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide
Catalog ID
STK446330
SMILES COc1cc(ccc1NC(=S)N1CCN(CC1)c1cccc(c1)O)[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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-26-17-12-14(22(24)25)5-6-16(17)19-18(27)21-9-7-20(8-10-21)13-3-2-4-15(23)11-13/h2-6,11-12,23H,7-10H2,1H3,(H,19,27)InChIKey
JMUHIDFZUASMKS-UHFFFAOYSA-NSynonyms
3(4(((2METHOXY4NITROPHENYL)AMINO)THIOXOMETHYL)PIPERAZINYL)PHENOL
4(3hydroxyphenyl)N(2methoxy4nitrophenyl)piperazine1carbothioamide
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O
COc1cc(ccc1NC(=S)N1CCN(CC1)c1cccc(c1)O)(N+)(=O)(O)
InChI=1SC18H20N4O4Sc126171214(22(24)25)5616(17)1918(27)219720(81021)1332415(23)1113h26111223H710H21H3(H1927)
MFCD04058656
ZINC000006397761
ZINC06397761
ZINC6397761
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