Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Catalog ID
STK996967
SMILES O=C(C12CC3CC(C2)CC(C1)C3)/C=C/c1ccc2c(c1)OCO2
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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 C20H22O3 MW 310.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22O3/c21-19(4-2-13-1-3-17-18(8-13)23-12-22-17)20-9-14-5-15(10-20)7-16(6-14)11-20/h1-4,8,14-16H,5-7,9-12H2/b4-2+InChIKey
IYRBLHGGKOIRPM-DUXPYHPUSA-NSynonyms
(2E)3(13benzodioxol5yl)1(tricyclo(3311~37~)dec1yl)prop2en1one
(E)1((3r5r7r)adamantan1yl)3(benzo(d)(13)dioxol5yl)prop2en1one
(E)1(1ADAMANTYL)3(13BENZODIOXOL5YL)PROP2EN1ONE
C1C2CC3CC1CC(C2)(C3)C(=O)C=CC4=CC5=C(C=C4)OCO5
InChI=1SC20H22O3c2119(4213131718(813)23122217)20914515(1020)716(614)1120h1481416H57912H2b42+
O=C(C12CC3CC(C2)CC(C1)C3)C=Cc1ccc2c(c1)OCO2
ZINC000004862960
ZINC04862960
ZINC4862960
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