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-(2-fluorophenyl)piperazin-1-yl]ethanone
Catalog ID
STK261195
SMILES C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2F)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 C25H24FN5O2S MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN5O2S/c1-2-11-31-24(22-16-18-7-3-6-10-21(18)33-22)27-28-25(31)34-17-23(32)30-14-12-29(13-15-30)20-9-5-4-8-19(20)26/h2-10,16H,1,11-15,17H2InChIKey
DWXBRNCRGHKFMP-UHFFFAOYSA-NSynonyms
2((5(1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4(2FLUOROPHENYL)PIPERAZIN1YL)ETHANONE
2((5(1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)1(4(2fluorophenyl)piperazin1yl)ethanone
2(4ALLYL5BENZOFURAN2YL4H(124)TRIAZOL3YLSULFANYL)1(4(2FLUOROPHENYL)PIPERAZIN1YL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3F)C4=CC5=CC=CC=C5O4
InChI=1SC25H24FN5O2Sc12113124(2216187361021(18)3322)272825(31)341723(32)30141229(131530)20954819(20)26h21016H1111517H2
MFCD08670985
ZINC000009426879
ZINC09426879
ZINC9426879
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