Vitas-M small molecule compound
N-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Catalog ID
STK458185
SMILES COc1ccc(cc1OC)NC(=S)N1CCN(CC1)c1ccc(cc1)[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 C19H22N4O4S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S/c1-26-17-8-3-14(13-18(17)27-2)20-19(28)22-11-9-21(10-12-22)15-4-6-16(7-5-15)23(24)25/h3-8,13H,9-12H2,1-2H3,(H,20,28)InChIKey
KJUKOJHDWSRCEL-UHFFFAOYSA-NSynonyms
((34DIMETHOXYPHENYL)AMINO)(4(4NITROPHENYL)PIPERAZINYL)METHANE1THIONE
COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O))OC
COc1ccc(cc1OC)NC(=S)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H22N4O4Sc126178314(1318(17)272)2019(28)2211921(101222)154616(7515)23(24)25h3813H912H212H3(H2028)
MFCD05990800
N(34DIMETHOXYPHENYL)4(4NITROPHENYL)1PIPERAZINECARBOTHIOAMIDE
N(34dimethoxyphenyl)4(4nitrophenyl)piperazine1carbothioamide
ZINC000005041700
ZINC05041700
ZINC5041700
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