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-methoxyphenyl)piperazin-1-yl]ethanone
Catalog ID
STK261194
SMILES C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2OC)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 C26H27N5O3S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3S/c1-3-12-31-25(23-17-19-8-4-6-10-21(19)34-23)27-28-26(31)35-18-24(32)30-15-13-29(14-16-30)20-9-5-7-11-22(20)33-2/h3-11,17H,1,12-16,18H2,2H3InChIKey
UWPXESXUQMIOFV-UHFFFAOYSA-NSynonyms
2((5(1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4(2METHOXYPHENYL)PIPERAZIN1YL)ETHANONE
2((5(1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)1(4(2methoxyphenyl)piperazin1yl)ethanone
2(4ALLYL5BENZOFURAN2YL4H(124)TRIAZOL3YLSULFANYL)1(4(2METHOXYPHENYL)PIPERAZIN1YL)ETHANONE
COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NN=C(N3CC=C)C4=CC5=CC=CC=C5O4
InChI=1SC26H27N5O3Sc13123125(2317198461021(19)3423)272826(31)351824(32)30151329(141630)209571122(20)332h31117H1121618H22H3
MFCD08670984
ZINC000009426878
ZINC09426878
ZINC9426878
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