Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(((pyridin-4-ylmethyl)amino)methyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL563147
SMILES O=C1O[C@H]2[C@@H](C1CNCc1ccncc1)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 C21H28N2O2 MW 340.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O2/c1-14-4-3-7-21(2)11-19-16(10-18(14)21)17(20(24)25-19)13-23-12-15-5-8-22-9-6-15/h5-6,8-10,14,16-17,19,23H,3-4,7,11-13H2,1-2H3/t14-,16+,17?,19+,21+/m0/s1InChIKey
AXMXPBSJTYIHAZ-QHMMHEGVSA-NSynonyms
956933-11-2(3aR5S8aR9aR)58adimethyl3((pyridin4ylmethylamino)methyl)33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3(((pyridin4ylmethyl)amino)methyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16400575
956933112
InChI=1SC21H28N2O2c11443721(2)111916(1018(14)21)17(20(24)2519)1323121558229615h568101416171923H3471113H212H3t1416+17?19+21+m0s1
MFCD32651406
O=C1O(C@H)2(C@@H)(C1CNCc1ccncc1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000003999987
ZINC000012664245
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