Vitas-M small molecule compound
(3S,3aR,5R,8aR,9aR)-3-((4-benzylpiperidin-1-yl)methyl)-4a-hydroxy-5-methoxy-5,8a-dimethyldecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL528255
SMILES CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC(CC1)Cc1ccccc1)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 C28H41NO4 MW 455.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H41NO4/c1-26-12-7-13-27(2,32-3)28(26,31)17-22-23(25(30)33-24(22)18-26)19-29-14-10-21(11-15-29)16-20-8-5-4-6-9-20/h4-6,8-9,21-24,31H,7,10-19H2,1-3H3/t22-,23?,24-,26-,27-,28?/m1/s1InChIKey
RANIWTSWBUYXQL-ROXPNDKHSA-NSynonyms
957000-43-0(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((4benzylpiperidin1yl)methyl)4~(a)hydroxy5methoxy58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)3((4benzylpiperidin1yl)methyl)4ahydroxy5methoxy58adimethyldecahydronaphtho(23b)furan2(3H)one
16398917
957000430
CO(C@)1(C)CCC(C@)2(C1(O)C(C@H)1(C@@H)(C2)OC(=O)C1CN1CCC(CC1)Cc1ccccc1)C
InChI=1SC28H41NO4c1261271327(2323)28(2631)172223(25(30)3324(22)1826)1929141021(111529)16208546920h4689212431H71019H213H3t2223?24262728?m1s1
ZINC000009034071
ZINC000012661936
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