Vitas-M small molecule compound
(3S,3aR,5R,8aR,9aR)-3-(((furan-2-ylmethyl)amino)methyl)-4a-hydroxy-5-methoxy-5,8a-dimethyldecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL528114
SMILES CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CNCc1ccco1)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 C21H31NO5 MW 377.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31NO5/c1-19-7-5-8-20(2,25-3)21(19,24)10-15-16(18(23)27-17(15)11-19)13-22-12-14-6-4-9-26-14/h4,6,9,15-17,22,24H,5,7-8,10-13H2,1-3H3/t15-,16?,17-,19-,20-,21?/m1/s1InChIKey
AQWWGXGRAWGACC-WWNIHFQZSA-NSynonyms
957001-01-3(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((furan2ylmethylamino)methyl)4~(a)hydroxy5methoxy58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)3(((furan2ylmethyl)amino)methyl)4ahydroxy5methoxy58adimethyldecahydronaphtho(23b)furan2(3H)one
16399060
957001013
CO(C@)1(C)CCC(C@)2(C1(O)C(C@H)1(C@@H)(C2)OC(=O)C1CNCc1ccco1)C
InChI=1SC21H31NO5c11975820(2253)21(1924)101516(18(23)2717(15)1119)132212146492614h46915172224H5781013H213H3t1516?17192021?m1s1
ZINC000004046755
ZINC000012662075
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