Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-((4-(m-tolyl)piperazin-1-yl)methyl)-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL532748
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C)[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 C26H36N2O3 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-17-6-4-9-20(14-17)28-12-10-27(11-13-28)16-21-23-22(31-25(21)30)15-19-8-5-7-18(2)26(19,3)24(23)29/h4,6,8-9,14,18,21-24,29H,5,7,10-13,15-16H2,1-3H3/t18-,21?,22+,23+,24-,26+/m0/s1InChIKey
VPMFYHWUKMLBMB-LDDIGIOQSA-NSynonyms
1212488-57-7(3S3aS4S4aR5S9aR)4hydroxy4a5dimethyl3((4(mtolyl)piperazin1yl)methyl)3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212488577
InChI=1SC26H36N2O3c11764920(1417)28121027(111328)16212322(3125(21)30)151985718(2)26(193)24(23)29h46891418212429H5710131516H213H3t1821?22+23+2426+m0s1
MFCD32649942
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1)C)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000049626712
ZINC000070680923
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