Vitas-M small molecule compound
N-(2-methoxy-4-nitrophenyl)-4-(tetrahydrofuran-2-ylcarbonyl)piperazine-1-carbothioamide
Catalog ID
STK455502
SMILES COc1cc(ccc1NC(=S)N1CCN(CC1)C(=O)C1CCCO1)[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 C17H22N4O5S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O5S/c1-25-15-11-12(21(23)24)4-5-13(15)18-17(27)20-8-6-19(7-9-20)16(22)14-3-2-10-26-14/h4-5,11,14H,2-3,6-10H2,1H3,(H,18,27)InChIKey
OXROBCRRHMAOMF-UHFFFAOYSA-NSynonyms
4(((2METHOXY4NITROPHENYL)AMINO)THIOXOMETHYL)PIPERAZINYLOXOLAN2YLKETONE
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)N2CCN(CC2)C(=O)C3CCCO3
InChI=1SC17H22N4O5Sc125151112(21(23)24)4513(15)1817(27)208619(7920)16(22)1432102614h451114H23610H21H3(H1827)
MFCD04228502
N(2METHOXY4NITROPHENYL)4(OXOLANE2CARBONYL)PIPERAZINE1CARBOTHIOAMIDE
N(2methoxy4nitrophenyl)4(tetrahydrofuran2ylcarbonyl)piperazine1carbothioamide
ZINC000004999030
ZINC000004999031
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