Vitas-M small molecule compound
1-(azepan-1-yl)-3-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one
Catalog ID
STK273554
SMILES COc1cc(cc(c1OC)OC)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 C20H27N3O5S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O5S/c1-25-15-12-14(13-16(26-2)18(15)27-3)19-21-22-20(28-19)29-11-8-17(24)23-9-6-4-5-7-10-23/h12-13H,4-11H2,1-3H3InChIKey
DIFNCDZPPROGMD-UHFFFAOYSA-NSynonyms
896827-35-31(azepan1yl)3((5(345trimethoxyphenyl)134oxadiazol2yl)sulfanyl)propan1one
1(azepan1yl)3((5(345trimethoxyphenyl)134oxadiazol2yl)thio)propan1one
896827353
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCCC(=O)N3CCCCCC3
InChI=1SC20H27N3O5Sc125151214(1316(262)18(15)273)19212220(2819)2911817(24)23964571023h1213H411H213H3
MFCD06599063
ZINC000002217449
ZINC02217449
ZINC2217449
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