Vitas-M small molecule compound
1-(azepan-1-yl)-3-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one
Catalog ID
STK273553
SMILES COc1cc(ccc1OC)c1nnc(o1)SCCC(=O)N1CCCCCC1
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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 C19H25N3O4S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O4S/c1-24-15-8-7-14(13-16(15)25-2)18-20-21-19(26-18)27-12-9-17(23)22-10-5-3-4-6-11-22/h7-8,13H,3-6,9-12H2,1-2H3InChIKey
UHEBWRRSUPCHOJ-UHFFFAOYSA-NSynonyms
1(azepan1yl)3((5(34dimethoxyphenyl)134oxadiazol2yl)sulfanyl)propan1one
COC1=C(C=C(C=C1)C2=NN=C(O2)SCCC(=O)N3CCCCCC3)OC
InChI=1SC19H25N3O4Sc124158714(1316(15)252)18202119(2618)2712917(23)221053461122h7813H36912H212H3
MFCD06600342
ZINC000002223945
ZINC02223945
ZINC2223945
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