Vitas-M small molecule compound
(3R,3aS,5aS,9bS)-5a,9-dimethyl-3-((3-methylpiperidin-1-yl)methyl)-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione
Catalog ID
STL525184
SMILES CC1CCCN(C1)CC1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)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 C21H29NO3 MW 343.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO3/c1-13-5-4-10-22(11-13)12-16-15-6-8-21(3)9-7-17(23)14(2)18(21)19(15)25-20(16)24/h7,9,13,15-16,19H,4-6,8,10-12H2,1-3H3/t13?,15-,16?,19-,21-/m0/s1InChIKey
DOKPHLDPKYIWJE-UWRYJKATSA-NSynonyms
956932-68-6(3~(a)~(S)5~(a)~(S)9~(b)~(S))5~(a)9dimethyl3((3methylpiperidin1yl)methyl)3~(a)459~(b)tetrahydro3~(H)benzo(g)(1)benzofuran28dione
(3R3aS5aS9bS)5a9dimethyl3((3methylpiperidin1yl)methyl)3a455atetrahydronaphtho(12b)furan28(3H9bH)dione
16396386
956932686
CC1CCCN(C1)CC1C(=O)O(C@H)2(C@H)1CC(C@@)1(C2=C(C)C(=O)C=C1)C
InChI=1SC21H29NO3c113541022(1113)1216156821(3)9717(23)14(2)18(21)19(15)2520(16)24h7913151619H4681012H213H3t13?1516?1921m0s1
ZINC000004027314
ZINC000012658216
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