Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-3-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL528136
SMILES COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[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 C26H36N2O4 MW 440.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O4/c1-17-5-4-6-18-15-22-23(24(29)26(17,18)2)21(25(30)32-22)16-27-11-13-28(14-12-27)19-7-9-20(31-3)10-8-19/h6-10,17,21-24,29H,4-5,11-16H2,1-3H3/t17-,21?,22+,23+,24-,26+/m0/s1InChIKey
UNYJANFBGVUIQP-QDLSVZDDSA-NSynonyms
1212467-73-6(3S3aS4S4aR5S9aR)4hydroxy3((4(4methoxyphenyl)piperazin1yl)methyl)4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212467736
COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
InChI=1SC26H36N2O4c11754618152223(24(29)26(1718)2)21(25(30)3222)1627111328(141227)197920(313)10819h61017212429H451116H213H3t1721?22+23+2426+m0s1
MFCD32649887
ZINC000061997024
ZINC000070680471
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