Vitas-M small molecule compound
2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Catalog ID
STK261183
SMILES COc1ccccc1N1CCN(CC1)C(=O)CSc1nnc(n1C)c1cc2c(o1)c(OC)ccc2
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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 C25H27N5O4S MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4S/c1-28-24(21-15-17-7-6-10-20(33-3)23(17)34-21)26-27-25(28)35-16-22(31)30-13-11-29(12-14-30)18-8-4-5-9-19(18)32-2/h4-10,15H,11-14,16H2,1-3H3InChIKey
SIUWAKHWIKGLLI-UHFFFAOYSA-NSynonyms
2((5(7methoxy1benzofuran2yl)4methyl124triazol3yl)sulfanyl)1(4(2methoxyphenyl)piperazin1yl)ethanone
2((5(7METHOXY1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(4(2METHOXYPHENYL)PIPERAZIN1YL)ETHANONE
2(5(7METHOXYBENZOFURAN2YL)4METHYL4H(124)TRIAZOL3YLSULFANYL)1(4(2METHOXYPHENYL)PIPERAZIN1YL)ETHANONE
CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C4=CC5=C(O4)C(=CC=C5)OC
InChI=1SC25H27N5O4Sc12824(211517761020(333)23(17)3421)262725(28)351622(31)30131129(121430)18845919(18)322h41015H111416H213H3
MFCD08670944
ZINC000009426873
ZINC09426873
ZINC9426873
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