Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-ethylpiperazin-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
STL563112
SMILES CCN1CCN(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 C21H34N2O3 MW 362.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O3/c1-4-22-8-10-23(11-9-22)13-16-18-17(26-20(16)25)12-15-7-5-6-14(2)21(15,3)19(18)24/h7,14,16-19,24H,4-6,8-13H2,1-3H3/t14-,16?,17+,18+,19-,21+/m0/s1InChIKey
RZJXEISZQFKAGA-BCJZYHIXSA-NSynonyms
1212442-24-4(3aS4S4aR5S9aR)3((4ethylpiperazin1yl)methyl)4hydroxy4a5dimethyl33a456799aoctahydrobenzo(f)(1)benzofuran2one
(3S3aS4S4aR5S9aR)3((4ethylpiperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212442244
131664861
CCN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
InChI=1SC21H34N2O3c142281023(11922)13161817(2620(16)25)121575614(2)21(153)19(18)24h714161924H46813H213H3t1416?17+18+1921+m0s1
MFCD32651398
ZINC000020411643
ZINC000020411646
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