Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate
Catalog ID
STL565239
SMILES NCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
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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 C23H33NO6 MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO6/c1-21-7-5-14(25)9-13(21)3-4-15-16-6-8-23(29,18(27)12-30-19(28)11-24)22(16,2)10-17(26)20(15)21/h9,15-17,20,26,29H,3-8,10-12,24H2,1-2H3/t15?,16?,17?,20?,21-,22-,23-/m0/s1InChIKey
XEXJOPLDBYLHLY-FXPCMFSJSA-NSynonyms
(2((10R13S17R)1117dihydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)2aminoacetate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21ylglycinate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl2aminoacetatehydrochloride
23639406
InChI=1SC23H33NO6c1217514(25)913(21)3415166823(2918(27)123019(28)1124)22(162)1017(26)20(15)21h91517202629H38101224H212H3t15?16?17?20?212223m0s1
NCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12CCl
ZINC000033895852
ZINC001848443870
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