Vitas-M small molecule compound
(8xi,9xi,14xi)-21-bromo-17-hydroxypregn-4-ene-3,20-dione
Catalog ID
STL524398
SMILES BrCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=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 C21H29BrO3 MW 409.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29BrO3/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,25H,3-10,12H2,1-2H3/t15?,16?,17?,19-,20-,21-/m0/s1InChIKey
IJWRHVPBIVEEQB-RCSFYLKVSA-NSynonyms
(10~(R)13~(S)17~(R))17(2bromoacetyl)17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3one
(10R13S17R)17(2bromoacetyl)17hydroxy1013dimethyl67891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3(2H)one
(8xi9xi14xi)21bromo17hydroxypregn4ene320dione
16395240
BrCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC21H29BrO3c1198514(23)1113(19)341516(19)6920(2)17(15)71021(2025)18(24)1222h11151725H31012H212H3t15?16?17?192021m0s1
MFCD01544209
ZINC000004023697
ZINC000253499489
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