Vitas-M small molecule compound

2-bromoestra-1,3,5(10)-triene-3,17-diol

Catalog ID
STK784664
SMILES OC1CCC2C1(C)CCC1C2CCc2c1cc(Br)c(c2)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 C18H23BrO2 MW 351.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23BrO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3
InChIKey
SORISAYAZBCIQH-UHFFFAOYSA-N
Synonyms
15833-07-5
15833075
2bromo13methyl6789111214151617decahydrocyclopenta(a)phenanthrene317diol
2BROMOESTRA135(10)TRIENE317DIOL
CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)Br)O
ESTRA135(10)TRIENE317DIOL2BROMO
InChI=1SC18H23BrO2c118761112(14(18)4517(18)21)3210816(20)15(19)913(10)11h89111214172021H27H21H3
MFCD03447138
ZINC000003902444
ZINC000245238528

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.