Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Catalog ID
STK666594
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(o1)C12CC3CC(C2)CC(C1)C3
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c25-18(22-15-1-2-16-17(6-15)27-11-26-16)10-29-20-24-23-19(28-20)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,12-14H,3-5,7-11H2,(H,22,25)InChIKey
VXAOGXALKQXHQC-UHFFFAOYSA-NSynonyms
2((5(1adamantyl)134oxadiazol2yl)sulfanyl)N(13benzodioxol5yl)acetamide
C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC(=O)NC5=CC6=C(C=C5)OCO6
InChI=1SC21H23N3O4Sc2518(2215121617(615)27112616)102920242319(2820)21712313(821)514(412)921h1261214H35711H2(H2225)
MFCD10038354
N(13benzodioxol5yl)2((5(tricyclo(3311~37~)dec1yl)134oxadiazol2yl)sulfanyl)acetamide
ZINC000008410231
ZINC08410231
ZINC8410231
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