Vitas-M small molecule compound
(8xi,9xi,10xi,13xi,14xi)-17,21-dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione
Catalog ID
STL170982
SMILES OCC(=O)[C@@]1(O)CCC2C1(C)CC1OC31C2CCC1=CC(=O)C=CC31C
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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 C21H26O5 MW 358.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h5,7,9,14-15,17,22,25H,3-4,6,8,10-11H2,1-2H3/t14?,15?,17?,18?,19?,20-,21?/m0/s1InChIKey
WQMGIEOKPKMWEY-VJCCOUKYSA-NSynonyms
(4aS4bS5aS6aS7R9aS9bS)7hydroxy7(2hydroxyacetyl)4a6adimethyl5a66a7899a9b1011decahydrocyclopenta(12)phenanthro(44ab)oxiren2(4aH)one
(8xi9xi10xi13xi14xi)1721dihydroxy911epoxypregna14diene320dione
CC12CC3C4(O3)C(C1CCC2(C(=O)CO)O)CCC5=CC(=O)C=CC45C
InChI=1SC21H26O5c1187513(23)912(18)3415146820(2516(24)1122)19(142)101721(1518)2617h5791415172225H34681011H212H3t14?15?17?18?19?2021?m0s1
MFCD00492842
OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@@H)1O(C@@)31(C@H)2CCC1=CC(=O)C=C(C@)31C
OCC(=O)(C@@)1(O)CCC2C1(C)CC1OC31C2CCC1=CC(=O)C=CC31C
ZINC000000783548
ZINC000257373176
Check stock
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