Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-3,20-dioxopregn-4-en-21-yl 2,2-dimethylpropanoate
Catalog ID
STL525510
SMILES O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=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 C26H38O4 MW 414.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18?,19?,20?,21?,25-,26-/m0/s1InChIKey
VVOIQBFMTVCINR-OCFIHWFSSA-NSynonyms
(2((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)22dimethylpropanoate
(8xi9xi14xi17xi)320dioxopregn4en21yl22dimethylpropanoate
2((8S9S10R13S14S17S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylpivalate
71773453
InChI=1SC26H38O4c124(23)23(29)301522(28)2198191876161417(27)101225(164)20(18)111326(1921)5h141821H61315H215H3t18?19?20?21?2526m0s1
MFCD01547478
O=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2C(=O)COC(=O)C(C)(C)C)C)C
ZINC000095889728
ZINC000306122525
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