Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL530967
SMILES O=C1O[C@H]2[C@@H](C1CN1CCc3c(C1)cccc3)CC1[C@](C2)(C)CCCC1=C
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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 C24H31NO2 MW 365.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO2/c1-16-6-5-10-24(2)13-22-19(12-21(16)24)20(23(26)27-22)15-25-11-9-17-7-3-4-8-18(17)14-25/h3-4,7-8,19-22H,1,5-6,9-15H2,2H3/t19-,20?,21?,22-,24-/m1/s1InChIKey
NGDNTENCUITPCQ-BQLVCVCHSA-NSynonyms
1212472-26-8(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(34dihydro1~(H)isoquinolin2ylmethyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((34dihydroisoquinolin2(1H)yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212472268
16404654
InChI=1SC24H31NO2c116651024(2)132219(1221(16)24)20(23(26)2722)152511917734818(17)1425h34781922H156915H22H3t1920?21?2224m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCc3c(C1)cccc3)CC1(C@)(C2)(C)CCCC1=C
ZINC000004085588
ZINC000012884666
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