Vitas-M small molecule compound
2-{[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethanone
Catalog ID
STK267072
SMILES COc1cccc2c1oc(c2)c1nnc(n1CC)SCC(=O)N1CCN(CC1)C
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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 C20H25N5O3S MW 415.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O3S/c1-4-25-19(16-12-14-6-5-7-15(27-3)18(14)28-16)21-22-20(25)29-13-17(26)24-10-8-23(2)9-11-24/h5-7,12H,4,8-11,13H2,1-3H3InChIKey
JEQUVTWAMBEAFF-UHFFFAOYSA-NSynonyms
2((4ethyl5(7methoxy1benzofuran2yl)124triazol3yl)sulfanyl)1(4methylpiperazin1yl)ethanone
2((4ETHYL5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)1(4METHYLPIPERAZIN1YL)ETHANONE
2(4ETHYL5(7METHOXYBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)1(4METHYLPIPERAZIN1YL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC20H25N5O3Sc142519(16121465715(273)18(14)2816)212220(25)291317(26)2410823(2)91124h5712H481113H213H3
MFCD09267725
ZINC000019852382
ZINC19852382
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