Vitas-M small molecule compound
ethyl 4-[({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)amino]benzoate
Catalog ID
STK164982
SMILES CCOC(=O)c1ccc(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/c1-2-28-22(27)20-10-12-21(13-11-20)24-23(29)26-17-15-25(16-18-26)14-6-9-19-7-4-3-5-8-19/h3-13H,2,14-18H2,1H3,(H,24,29)/b9-6+InChIKey
YGGOOACURLFNCK-RMKNXTFCSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3
CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)CC=Cc1ccccc1
ETHYL4(((4((2E)3PHENYLPROP2EN1YL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)BENZOATE
ETHYL4(((4((2E)3PHENYLPROP2ENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZOATE
ETHYL4(((4CINNAMYL1PIPERAZINYL)CARBOTHIOYL)AMINO)BENZOATE
ETHYL4((4((E)3PHENYLPROP2ENYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZOATE
InChI=1SC23H27N3O2Sc122822(27)20101221(131120)2423(29)26171525(161826)1469197435819h313H21418H21H3(H2429)b96+
MFCD03352540
ZINC000054254192
ZINC54254192
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