Vitas-M small molecule compound
(8xi,9xi,10xi,13xi,14xi,16alpha)-16,17-dimethyl-20-oxopregn-5-en-1-yl acetate
Catalog ID
STK669108
SMILES CC(=O)OC1CCCC2=CCC3C(C12C)CCC1(C3C[C@H]([C@]1(C)C(=O)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 C25H38O3 MW 386.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38O3/c1-15-14-21-19-11-10-18-8-7-9-22(28-17(3)27)24(18,5)20(19)12-13-23(21,4)25(15,6)16(2)26/h10,15,19-22H,7-9,11-14H2,1-6H3/t15-,19?,20?,21?,22?,23?,24?,25-/m1/s1InChIKey
BMCREEPJVHSYOD-QVGBZZFTSA-NSynonyms
294866-91-4((16R17S)17acetyl10131617tetramethyl12347891112141516dodecahydrocyclopenta(a)phenanthren1yl)acetate
(8xi9xi10xi13xi14xi16alpha)1617dimethyl20oxopregn5en1ylacetate
294866914
CC(=O)OC1CCCC2=CCC3C(C12C)CCC1(C3C(C@H)((C@)1(C)C(=O)C)C)C
CC1CC2C3CC=C4CCCC(C4(C3CCC2(C1(C)C(=O)C)C)C)OC(=O)C
InChI=1SC25H38O3c11514211911101887922(2817(3)27)24(185)20(19)121323(214)25(156)16(2)26h10151922H791114H216H3t1519?20?21?22?23?24?25m1s1
MFCD00468597
ZINC000253502285
ZINC000253502302
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