Vitas-M small molecule compound
ethyl 4-(((3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-2-oxo-2,3,3a,4,4a,5,6,7,9,9a-decahydronaphtho[2,3-b]furan-3-yl)methyl)piperazine-1-carboxylate
Catalog ID
STL531408
SMILES CCOC(=O)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 C22H34N2O5 MW 406.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N2O5/c1-4-28-21(27)24-10-8-23(9-11-24)13-16-18-17(29-20(16)26)12-15-7-5-6-14(2)22(15,3)19(18)25/h7,14,16-19,25H,4-6,8-13H2,1-3H3/t14-,16?,17+,18+,19-,22+/m0/s1InChIKey
PGYFRFCVPWSCKX-VOCVZTIVSA-NSynonyms
1212463-51-81212463518
CCOC(=O)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ethyl4(((3S3aS4S4aR5S9aR)4hydroxy4a5dimethyl2oxo233a44a56799adecahydronaphtho(23b)furan3yl)methyl)piperazine1carboxylate
InChI=1SC22H34N2O5c142821(27)2410823(91124)13161817(2920(16)26)121575614(2)22(153)19(18)25h714161925H46813H213H3t1416?17+18+1922+m0s1
MFCD32649928
ZINC000020411993
ZINC000020411998
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