Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((4-fluorophenethyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL562822
SMILES O=C1O[C@H]2[C@@H](C1CNCCc1ccc(cc1)F)C=C1[C@](C2)(C)CCC[C@@H]1C
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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 C23H30FNO2 MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30FNO2/c1-15-4-3-10-23(2)13-21-18(12-20(15)23)19(22(26)27-21)14-25-11-9-16-5-7-17(24)8-6-16/h5-8,12,15,18-19,21,25H,3-4,9-11,13-14H2,1-2H3/t15-,18+,19?,21+,23+/m0/s1InChIKey
FFSNVRAKSCJUEN-STQQWSKCSA-NSynonyms
956993-35-4(3aR5S8aR9aR)3((2(4fluorophenyl)ethylamino)methyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((4fluorophenethyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16398501
956993354
InChI=1SC23H30FNO2c115431023(2)132118(1220(15)23)19(22(26)2721)1425119165717(24)8616h58121518192125H349111314H212H3t1518+19?21+23+m0s1
MFCD32651362
O=C1O(C@H)2(C@@H)(C1CNCCc1ccc(cc1)F)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000004044593
ZINC000012661713
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