Vitas-M small molecule compound
2-[(17-hydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-N,N,N-trimethyl-2-oxoethanaminium
Catalog ID
STK368139
SMILES O=C(C[N+](C)(C)C)OCC(=O)C1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)C=CC12C
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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 C26H38NO5 MW 444.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38NO5/c1-24-11-8-18(28)14-17(24)6-7-19-20(24)9-12-25(2)21(19)10-13-26(25,31)22(29)16-32-23(30)15-27(3,4)5/h8,11,14,19-21,31H,6-7,9-10,12-13,15-16H2,1-5H3/q+1InChIKey
LTNKVLZWZNPXCS-UHFFFAOYSA-NSynonyms
(2(2(17hydroxy1013dimethyl3oxo7891112141516octahydro6Hcyclopenta(a)phenanthren17yl)2oxoethoxy)2oxoethyl)trimethylazanium
2((17hydroxy320dioxopregna14dien21yl)oxy)NNNtrimethyl2oxoethanaminium
CC12CCC3C(C1CCC2(C(=O)COC(=O)C(N+)(C)(C)C)O)CCC4=CC(=O)C=CC34C
InChI=1SC26H38NO5c12411818(28)1417(24)671920(24)91225(2)21(19)101326(2531)22(29)163223(30)1527(34)5h81114192131H6791012131516H215H3q+1
O=C(C(N+)(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)C=CC12C
ZINC000245326825
ZINC000253529586
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