Vitas-M small molecule compound
(8xi,9xi,14xi)-3,20-dioxopregn-4-en-17-yl heptanoate
Catalog ID
STL525857
SMILES CCCCCCC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)C(=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 C28H42O4 MW 442.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42O4/c1-5-6-7-8-9-25(31)32-28(19(2)29)17-14-24-22-11-10-20-18-21(30)12-15-26(20,3)23(22)13-16-27(24,28)4/h18,22-24H,5-17H2,1-4H3/t22?,23?,24?,26-,27-,28-/m0/s1InChIKey
NKJYZYWCGKSMSV-SVKPFUFZSA-NSynonyms
((10~(R)13~(S)17~(R))17acetyl1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)heptanoate
(8xi9xi14xi)320dioxopregn4en17ylheptanoate
135639098
InChI=1SC28H42O4c15678925(31)3228(19(2)29)171424221110201821(30)121526(203)23(22)131627(2428)4h182224H517H214H3t22?23?24?262728m0s1
MFCD01547664
ZINC001772491950
ZINC001772491953
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