Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK245466
SMILES C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1c1cc2c(o1)cccc2
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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 C25H25N5O2S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O2S/c1-2-12-30-24(22-17-19-8-6-7-11-21(19)32-22)26-27-25(30)33-18-23(31)29-15-13-28(14-16-29)20-9-4-3-5-10-20/h2-11,17H,1,12-16,18H2InChIKey
ANRFNXVWAXXPJR-UHFFFAOYSA-NSynonyms
1(((5(1BENZOFURAN2YL)4PROP2EN1YL4H124TRIAZOL3YL)SULFANYL)ACETYL)4PHENYLPIPERAZINE
2((5(1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5(1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5O4
InChI=1SC25H25N5O2Sc12123024(2217198671121(19)3222)262725(30)331823(31)29151328(141629)2094351020h21117H1121618H2
MFCD08670014
ZINC000009264790
ZINC09264790
ZINC9264790
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