Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-3-((4-(2-hydroxyethyl)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
STL563129
SMILES OCCN1CCN(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 C21H34N2O4 MW 378.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O4/c1-14-4-3-5-15-12-17-18(19(25)21(14,15)2)16(20(26)27-17)13-23-8-6-22(7-9-23)10-11-24/h5,14,16-19,24-25H,3-4,6-13H2,1-2H3/t14-,16?,17+,18+,19-,21+/m0/s1InChIKey
HMSAIGOZLMKVAN-BCJZYHIXSA-NSynonyms
1212431-57-6(3aS4S4aR5S9aR)4hydroxy3((4(2hydroxyethyl)piperazin1yl)methyl)4a5dimethyl33a456799aoctahydrobenzo(f)(1)benzofuran2one
(3S3aS4S4aR5S9aR)4hydroxy3((4(2hydroxyethyl)piperazin1yl)methyl)4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212431576
131664602
InChI=1SC21H34N2O4c11443515121718(19(25)21(1415)2)16(20(26)2717)13238622(7923)101124h51416192425H34613H212H3t1416?17+18+1921+m0s1
MFCD32651400
OCCN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000019370362
ZINC000022457076
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