Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
Catalog ID
STL525461
SMILES O=C1C=C[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)COC(=O)C(C)(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 C26H36O6 MW 444.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17?,18?,19?,21?,24-,25-,26-/m0/s1InChIKey
PHEOVVDXTQVHAZ-WGGDBZEFSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)22dimethylpropanoate
(8xi9xi14xi)1117dihydroxy320dioxopregna14dien21yl22dimethylpropanoate
135639059
InChI=1SC26H36O6c123(23)22(30)321420(29)26(31)119181776151216(27)81024(154)21(17)19(28)1325(1826)5h810121719212831H679111314H215H3t17?18?19?21?242526m0s1
MFCD01547975
ZINC000015919777
ZINC000253499834
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