Vitas-M small molecule compound
2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Catalog ID
STL415879
SMILES COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)Nc1ccc(cc1)OC
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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 C22H24N4O5S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S/c1-26-21(16-11-18-19(12-17(16)29-3)31-10-4-9-30-18)24-25-22(26)32-13-20(27)23-14-5-7-15(28-2)8-6-14/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,23,27)InChIKey
XASUKWHYOLADFM-UHFFFAOYSA-NSynonyms
2((5(7methoxy34dihydro2H15benzodioxepin8yl)4methyl124triazol3yl)sulfanyl)N(4methoxyphenyl)acetamide
2((5(8methoxy34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(4methoxyphenyl)acetamide
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CC4=C(C=C3OC)OCCCO4
InChI=1SC22H24N4O5Sc12621(16111819(1217(16)293)3110493018)242522(26)321320(27)23145715(282)8614h581112H491013H213H3(H2327)
MFCD27220725
ZINC000064986929
ZINC64986929
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