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-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STK219409
SMILES C=CCn1c(SCC(=O)c2ccc(c(c2)OC)OC)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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-4-11-26-22(21-13-16-7-5-6-8-18(16)30-21)24-25-23(26)31-14-17(27)15-9-10-19(28-2)20(12-15)29-3/h4-10,12-13H,1,11,14H2,2-3H3InChIKey
NKNZYBONMYJDEU-UHFFFAOYSA-NSynonyms
2((5(1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
2((5(1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3)OC
InChI=1SC23H21N3O4Sc14112622(211316756818(16)3021)242523(26)311417(27)1591019(282)20(1215)293h4101213H11114H223H3
MFCD07401734
ZINC000009303042
ZINC09303042
ZINC9303042
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