Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL562691
SMILES O=C1O[C@H]2[C@@H](C1CNCCC1=CCCCC1)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 C23H35NO2 MW 357.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35NO2/c1-16-7-6-11-23(2)14-21-18(13-20(16)23)19(22(25)26-21)15-24-12-10-17-8-4-3-5-9-17/h8,13,16,18-19,21,24H,3-7,9-12,14-15H2,1-2H3/t16-,18+,19?,21+,23+/m0/s1InChIKey
HXYJGBLGTALODR-NZOGGUBZSA-NSynonyms
956145-94-1(3aR5S8aR9aR)3((2(cyclohexen1yl)ethylamino)methyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((2(cyclohex1en1yl)ethyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397996
956145941
InChI=1SC23H35NO2c116761123(2)142118(1320(16)23)19(22(25)2621)15241210178435917h8131618192124H379121415H212H3t1618+19?21+23+m0s1
MFCD32651339
O=C1O(C@H)2(C@@H)(C1CNCCC1=CCCCC1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000004041121
ZINC000012661416
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