Vitas-M small molecule compound
methyl {4-[({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)amino]phenyl}acetate
Catalog ID
STK142806
SMILES COC(=O)Cc1ccc(cc1)NC(=S)N1CCN(CC1)C/C=C/c1ccccc1
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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 C23H27N3O2S MW 409.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O2S/c1-28-22(27)18-20-9-11-21(12-10-20)24-23(29)26-16-14-25(15-17-26)13-5-8-19-6-3-2-4-7-19/h2-12H,13-18H2,1H3,(H,24,29)/b8-5+InChIKey
BSPAPLQILOJBGL-VMPITWQZSA-NSynonyms
516458-53-0(E)methyl2(4(4cinnamylpiperazine1carbothioamido)phenyl)acetate
516458530
COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3
COC(=O)Cc1ccc(cc1)NC(=S)N1CCN(CC1)CC=Cc1ccccc1
InChI=1SC23H27N3O2Sc12822(27)182091121(121020)2423(29)26161425(151726)1358196324719h212H1318H21H3(H2429)b85+
METHYL(4(((4((2E)3PHENYLPROP2EN1YL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)PHENYL)ACETATE
METHYL(4(((4CINNAMYL1PIPERAZINYL)CARBOTHIOYL)AMINO)PHENYL)ACETATE
METHYL2(4(((4((2E)3PHENYLPROP2ENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)PHENYL)ACETATE
METHYL2(4((4((E)3PHENYLPROP2ENYL)PIPERAZINE1CARBOTHIOYL)AMINO)PHENYL)ACETATE
MFCD03760155
ZINC000054254207
ZINC54254207
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