Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((benzyl(methyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL542305
SMILES CN(CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)Cc1ccccc1
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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 C23H31NO2 MW 353.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO2/c1-16-8-7-11-23(2)13-21-18(12-20(16)23)19(22(25)26-21)15-24(3)14-17-9-5-4-6-10-17/h4-6,9-10,12,16,18-19,21H,7-8,11,13-15H2,1-3H3/t16-,18+,19?,21+,23+/m0/s1InChIKey
OFXZQIJQJISEJF-NZOGGUBZSA-NSynonyms
1212446-83-7(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((benzyl(methyl)amino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((benzyl(methyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
1212446837
16400951
CN(CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C)Cc1ccccc1
InChI=1SC23H31NO2c116871123(2)132118(1220(16)23)19(22(25)2621)1524(3)141795461017h469101216181921H78111315H213H3t1618+19?21+23+m0s1
MFCD32650022
ZINC000004073793
ZINC000012866862
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