Vitas-M small molecule compound

(8xi,11beta,14xi,16beta)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate

Catalog ID
STK801984
SMILES CCC(=O)O[C@@]1([C@@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CCl

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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 C25H32ClFO5 MW 466.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17?,18?,19-,22-,23-,24-,25-/m0/s1
InChIKey
CBGUOGMQLZIXBE-BHPVMOEKSA-N
Synonyms

((9R10S11S13S16S17R)17(2chloroacetyl)9fluoro11hydroxy101316trimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren17yl)propanoate
(8xi11beta14xi16beta)21chloro9fluoro11hydroxy16methyl320dioxopregna14dien17ylpropanoate
CCC(=O)O(C@@)1((C@@H)(C)CC2(C@)1(C)C(C@H)(O)(C@)1(C2CCC2=CC(=O)C=C(C@)12C)F)C(=O)CCl
CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl
CLOBETASOL17PROPIONATE
InChI=1SC25H32ClFO5c1521(31)3225(20(30)1326)14(2)10181776151116(28)8922(153)24(1727)19(29)1223(1825)4h891114171929H57101213H214H3t1417?18?1922232425m0s1
MFCD09843748
PREGNA14DIENE320DIONE21CHLORO9FLUORO11HYDROXY16METHYL17(1OXOPROPOXY)(11BETA16BETA)
ZINC000003977765
ZINC000003977768

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Available files

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