Vitas-M small molecule compound
1-{[5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}propan-2-one
Catalog ID
STK736898
SMILES CC(=O)CSc1oc2c(n1)cc(cc2)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 C20H23NO2S MW 341.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO2S/c1-12(22)11-24-19-21-17-7-16(2-3-18(17)23-19)20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15H,4-6,8-11H2,1H3InChIKey
PDJKIFKVDZAVRC-UHFFFAOYSA-NSynonyms
1((5(1ADAMANTYL)13BENZOXAZOL2YL)SULFANYL)PROPAN2ONE
1((5(tricyclo(3311~37~)dec1yl)13benzoxazol2yl)sulfanyl)propan2one
1(5ADAMANTANYLBENZOXAZOL2YLTHIO)ACETONE
CC(=O)CSC1=NC2=C(O1)C=CC(=C2)C34CC5CC(C3)CC(C5)C4
InChI=1SC20H23NO2Sc112(22)1124192117716(2318(17)2319)20813414(920)615(513)1020h2371315H46811H21H3
MFCD07021831
ZINC000004760901
ZINC04760901
ZINC4760901
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