Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((2,6-dimethylmorpholino)methyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL533820
SMILES CC1CN(CC(O1)C)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 C21H33NO4 MW 363.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO4/c1-12-6-5-7-15-8-17-18(19(23)21(12,15)4)16(20(24)26-17)11-22-9-13(2)25-14(3)10-22/h7,12-14,16-19,23H,5-6,8-11H2,1-4H3/t12-,13?,14?,16?,17+,18+,19-,21+/m0/s1InChIKey
AGRFRTKLCPEWTJ-MUDBLJJCSA-NSynonyms
1212460-16-6(3S3aS4S4aR5S9aR)3((26dimethylmorpholino)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212460166
CC1CN(CC(O1)C)CC1C(=O)O(C@H)2(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
InChI=1SC21H33NO4c1126571581718(19(23)21(1215)4)16(20(24)2617)1122913(2)2514(3)1022h71214161923H56811H214H3t1213?14?16?17+18+1921+m0s1
MFCD32649956
ZINC000036369529
ZINC000049662043
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