Vitas-M small molecule compound
11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1~5,8~.0~1,10~.0~2,8~.0~13,17~]nonadecane-4,7,16-triol (non-preferred name)
Catalog ID
STL372883
SMILES CCN1CC2(C)CCC(C34C1C(CC23)C12C4CC(C(C1)C(=C)C2O)O)O
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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 C22H33NO3 MW 359.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3InChIKey
AZAZKLKDEOMJBJ-UHFFFAOYSA-NSynonyms
(3R6S6aR6bR8S9S11R11aR12R14R)1ethyl3methyl10methylenetetradecahydro36a12(epiethane(112)triyl)911amethanoazuleno(21b)azocine6811triol
11ethyl13methyl6methylidene11azahexacyclo(7721~58~0~110~0~28~0~1317~)nonadecane4716triol(nonpreferredname)
CCN1C(C@)2(C)CC(C@@H)((C@)34(C@H)1(C@H)(C(C@H)23)(C@)12(C@H)4C(C@@H)((C@@H)(C1)C(=C)(C@H)2O)O)O
CCN1CC2(CCC(C34C2CC(C31)C56C4CC(C(C5)C(=C)C6O)O)O)C
InChI=1SC22H33NO3c14231020(3)6517(25)2215(20)713(18(22)23)21912(11(2)19(21)26)14(24)816(21)22h12192426H2410H213H3
MFCD02731510
ZINC000253369325
ZINC000253369328
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