Vitas-M small molecule compound
4-{[(8xi,9xi,11alpha,14xi,17xi)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoic acid
Catalog ID
STL524955
SMILES O=C(O[C@@H]1C[C@@]2(C)C(C3C1[C@@]1(C)CCC(=O)C=C1CC3)CCC2C(=O)C)CCC(=O)O
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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 C25H34O6 MW 430.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17?,18?,19?,20-,23?,24+,25-/m1/s1InChIKey
JBBNFGYRYNBDIH-XCUOWODGSA-NSynonyms
16396306
4(((10~(R)11~(R)13~(S))17acetyl1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren11yl)oxy)4oxobutanoicacid
4(((10R11R13S)17acetyl1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren11yl)oxy)4oxobutanoicacid
4(((8xi9xi11alpha14xi17xi)320dioxopregn4en11yl)oxy)4oxobutanoicacid
InChI=1SC25H34O6c114(26)1867191754151216(27)101124(152)23(17)20(1325(1819)3)3122(30)9821(28)29h12172023H41113H213H3(H2829)t17?18?19?2023?24+25m1s1
MFCD01549326
O=C(O(C@@H)1C(C@@)2(C)C(C3C1(C@@)1(C)CCC(=O)C=C1CC3)CCC2C(=O)C)CCC(=O)O
ZINC000004027075
ZINC000253499536
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