Vitas-M small molecule compound
(8xi,9xi,14xi)-6-methylidene-3,20-dioxopregn-4-ene-17,21-diyl diacetate
Catalog ID
STL525948
SMILES CC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2CC(=C)C2=CC(=O)CC[C@]12C)C(=O)COC(=O)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 C26H34O6 MW 442.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34O6/c1-15-12-19-20(24(4)9-6-18(29)13-22(15)24)7-10-25(5)21(19)8-11-26(25,32-17(3)28)23(30)14-31-16(2)27/h13,19-21H,1,6-12,14H2,2-5H3/t19?,20?,21?,24-,25+,26+/m1/s1InChIKey
NDWXMYIKFODOCL-JLKNQEQISA-NSynonyms
(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl6methylidene3oxo127891112141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi14xi)6methylidene320dioxopregn4ene1721diyldiacetate
135639107
2((8R9S10R13S14S17R)17acetoxy1013dimethyl6methylene3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)O(C@@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(=C)C2=CC(=O)CC(C@)12C)C(=O)COC(=O)C
InChI=1SC26H34O6c115121920(24(4)9618(29)1322(15)24)71025(5)21(19)81126(253217(3)28)23(30)143116(2)27h131921H161214H225H3t19?20?21?2425+26+m1s1
MFCD01083362
ZINC001772492073
ZINC001772492076
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