Vitas-M small molecule compound
(8xi,9xi,10xi,13xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl chloroacetate
Catalog ID
STK366244
SMILES ClCC(=O)OCC(=O)[C@@]1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C
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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 C23H31ClO6 MW 438.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31ClO6/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,3-8,10-12H2,1-2H3/t15?,16?,17?,20?,21?,22?,23-/m0/s1InChIKey
MHUNHTADZGKXNC-WXQGBFPBSA-NSynonyms
(2((17R)1117dihydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)2chloroacetate
(8xi9xi10xi13xi14xi)1117dihydroxy320dioxopregn4en21ylchloroacetate
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCl)O)C)O
ClCC(=O)OCC(=O)(C@@)1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C
InChI=1SC23H31ClO6c1217514(25)913(21)3415166823(2918(27)123019(28)1124)22(162)1017(26)20(15)21h91517202629H381012H212H3t15?16?17?20?21?22?23m0s1
MFCD00344699
ZINC000004014925
ZINC000253498114
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