Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-6-chloro-5-hydroxy-17-oxoandrostan-3-yl acetate
Catalog ID
STL524971
SMILES CC(=O)OC1CC[C@]2([C@@](C1)(O)C(Cl)CC1C2CC[C@]2(C1CCC2=O)C)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 C21H31ClO4 MW 382.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31ClO4/c1-12(23)26-13-6-9-20(3)16-7-8-19(2)15(4-5-18(19)24)14(16)10-17(22)21(20,25)11-13/h13-17,25H,4-11H2,1-3H3/t13?,14?,15?,16?,17?,19-,20+,21-/m0/s1InChIKey
DNJABCBTMIQRHM-VOIYMRFPSA-NSynonyms
((5~(R)10~(R)13~(S))6chloro5hydroxy1013dimethyl17oxo23467891112141516dodecahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(5alpha8xi9xi14xi)6chloro5hydroxy17oxoandrostan3ylacetate
(5R10R13S)6chloro5hydroxy1013dimethyl17oxohexadecahydro1Hcyclopenta(a)phenanthren3ylacetate
16395749
CC(=O)OC1CC(C@)2((C@@)(C1)(O)C(Cl)CC1C2CC(C@)2(C1CCC2=O)C)C
InChI=1SC21H31ClO4c112(23)26136920(3)167819(2)15(4518(19)24)14(16)1017(22)21(2025)1113h131725H411H213H3t13?14?15?16?17?1920+21m0s1
MFCD01546231
ZINC000004025996
ZINC000253499257
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