Vitas-M small molecule compound
(3R,3aS,5aS,9bS)-3-((3,3-dimethylpiperidin-1-yl)methyl)-5a,9-dimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione
Catalog ID
STL566077
SMILES O=C1O[C@H]2[C@H](C1CN1CCCC(C1)(C)C)CC[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 C22H31NO3 MW 357.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO3/c1-14-17(24)7-10-22(4)9-6-15-16(20(25)26-19(15)18(14)22)12-23-11-5-8-21(2,3)13-23/h7,10,15-16,19H,5-6,8-9,11-13H2,1-4H3/t15-,16?,19-,22-/m0/s1InChIKey
YVEXKOLTDDJUNU-GHCZZKFCSA-NSynonyms
956935-91-4(3aS5aS9bS)3((33dimethylpiperidin1yl)methyl)5a9dimethyl3a459btetrahydro3Hbenzo(g)(1)benzofuran28dione
(3AS5AS9BS)5A9DIMETHYL3(33DIMETHYLPIPERIDIN1YLMETHYL)3A55A9BTETRAHYDRO3H4HNAPHTHO(12B)FURAN28DIONE
(3R3aS5aS9bS)3((33dimethylpiperidin1yl)methyl)5a9dimethyl3a455atetrahydronaphtho(12b)furan28(3H9bH)dione
16396363
956935914
InChI=1SC22H31NO3c11417(24)71022(4)961516(20(25)2619(15)18(14)22)1223115821(23)1323h710151619H56891113H214H3t1516?1922m0s1
O=C1O(C@H)2(C@H)(C1CN1CCCC(C1)(C)C)CC(C@@)1(C2=C(C)C(=O)C=C1)C
ZINC000004027230
ZINC000012658108
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