Vitas-M small molecule compound
ethyl 4-{(2E)-2-[1-amino-3-(4-methylpiperazin-1-yl)-3-oxo-1-thioxopropan-2-ylidene]hydrazinyl}benzoate
Catalog ID
STL437100
SMILES CCOC(=O)c1ccc(cc1)N/N=C(\C(=O)N1CCN(CC1)C)/C(=S)N
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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 C17H23N5O3S MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N5O3S/c1-3-25-17(24)12-4-6-13(7-5-12)19-20-14(15(18)26)16(23)22-10-8-21(2)9-11-22/h4-7,19H,3,8-11H2,1-2H3,(H2,18,26)/b20-14-InChIKey
YXUJTGJEVVHSRU-ZHZULCJRSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NN=C(C(=S)N)C(=O)N2CCN(CC2)C
CCOC(=O)c1ccc(cc1)NN=C(C(=O)N1CCN(CC1)C)C(=S)N
ETHYL4((2E)2(1AMINO3(4METHYLPIPERAZIN1YL)3OXO1SULFANYLIDENEPROPAN2YLIDENE)HYDRAZINYL)BENZOATE
ethyl4((2E)2(1amino3(4methylpiperazin1yl)3oxo1thioxopropan2ylidene)hydrazinyl)benzoate
InChI=1SC17H23N5O3Sc132517(24)124613(7512)192014(15(18)26)16(23)2210821(2)91122h4719H3811H212H3(H21826)b2014
MFCD07755500
ZINC000254303723
ZINC101392298
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