Vitas-M small molecule compound
2-({5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK187849
SMILES C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1COc1ccccc1C
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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 C25H29N5O2S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2S/c1-3-13-30-23(18-32-22-12-8-7-9-20(22)2)26-27-25(30)33-19-24(31)29-16-14-28(15-17-29)21-10-5-4-6-11-21/h3-12H,1,13-19H2,2H3InChIKey
MDFBPDWHNRBKQQ-UHFFFAOYSA-NSynonyms
2((5((2METHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5((2METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC25H29N5O2Sc13133023(1832221287920(22)2)262725(30)331924(31)29161428(151729)21105461121h312H11319H22H3
MFCD04400756
ZINC000009264648
ZINC09264648
ZINC9264648
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