Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-benzhydrylpiperazin-1-yl)methyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL562950
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)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 C32H40N2O3 MW 500.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O3/c1-22-10-9-15-25-20-27-28(30(35)32(22,25)2)26(31(36)37-27)21-33-16-18-34(19-17-33)29(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-15,22,26-30,35H,9-10,16-21H2,1-2H3/t22-,26?,27+,28+,30-,32+/m0/s1InChIKey
XESODQRWBFMKEB-MSPAVIBVSA-NSynonyms
1212430-92-6(3aS4S4aR5S9aR)3((4benzhydrylpiperazin1yl)methyl)4hydroxy4a5dimethyl33a456799aoctahydrobenzo(f)(1)benzofuran2one
(3S3aS4S4aR5S9aR)3((4benzhydrylpiperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212430926
131664677
InChI=1SC32H40N2O3c1221091525202728(30(35)32(2225)2)26(31(36)3727)2133161834(191733)29(23115361223)24137481424h38111522263035H9101621H212H3t2226?27+28+3032+m0s1
MFCD32651377
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000019369917
ZINC000036369555
Check stock
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