Vitas-M small molecule compound

(5alpha,8xi,9xi,14xi,16alpha)-17-bromo-16-methyl-20-oxopregnan-3-yl acetate

Catalog ID
STL566287
SMILES CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H]([C@]2(Br)C(=O)C)C)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 C24H37BrO3 MW 453.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H37BrO3/c1-14-12-21-19-7-6-17-13-18(28-16(3)27)8-10-22(17,4)20(19)9-11-23(21,5)24(14,25)15(2)26/h14,17-21H,6-13H2,1-5H3/t14-,17+,18?,19?,20?,21?,22+,23+,24+/m1/s1
InChIKey
UZRDIAJZUXAVEP-XLFGYDFUSA-N
Synonyms

((5S10S13S16R17R)17acetyl17bromo101316trimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(5alpha8xi9xi14xi16alpha)17bromo16methyl20oxopregnan3ylacetate
(5S10S13S16R17R)17acetyl17bromo101316trimethylhexadecahydro1Hcyclopenta(a)phenanthren3ylacetate
16396057
CC(=O)OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1C(C@H)((C@)2(Br)C(=O)C)C)C)C
InChI=1SC24H37BrO3c11412211976171318(2816(3)27)81022(174)20(19)91123(215)24(1425)15(2)26h141721H613H215H3t1417+18?19?20?21?22+23+24+m1s1
ZINC000008740190
ZINC000035361086

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Available files

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