Vitas-M small molecule compound
2-{[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
Catalog ID
STL182545
SMILES COc1cccc2c1oc(c2)c1nnc(n1CC)SCC(=O)Nc1cccnc1
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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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-3-25-19(16-10-13-6-4-8-15(27-2)18(13)28-16)23-24-20(25)29-12-17(26)22-14-7-5-9-21-11-14/h4-11H,3,12H2,1-2H3,(H,22,26)InChIKey
QKFXZKNJWQOWMG-UHFFFAOYSA-NSynonyms
2((4ethyl5(7methoxy1benzofuran2yl)124triazol3yl)sulfanyl)Npyridin3ylacetamide
2((4ethyl5(7methoxy1benzofuran2yl)4H124triazol3yl)sulfanyl)N(pyridin3yl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=CN=CC=C2)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC20H19N5O3Sc132519(16101364815(272)18(13)2816)232420(25)291217(26)2214759211114h411H312H212H3(H2226)
MFCD22125384
ZINC000072191456
ZINC72191456
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