Vitas-M small molecule compound
(9xi,14xi)-17-(acetyloxy)-6-methyl-20-oxopregna-4,6-dien-3-yl 3-(piperidin-1-yl)propanoate
Catalog ID
STL004038
SMILES O=C(OC1CC[C@]2(C(=C1)C(=C[C@@H]1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C)C)CCN1CCCCC1
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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 C32H47NO5 MW 525.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H47NO5/c1-21-19-25-26(10-14-31(5)27(25)11-15-32(31,22(2)34)38-23(3)35)30(4)13-9-24(20-28(21)30)37-29(36)12-18-33-16-7-6-8-17-33/h19-20,24-27H,6-18H2,1-5H3/t24?,25-,26?,27?,30-,31+,32+/m1/s1InChIKey
CYIQITBIFVVIGC-RMBUMQTBSA-NSynonyms
((8R10R13S17R)17acetyl17acetyloxy61013trimethyl123891112141516decahydrocyclopenta(a)phenanthren3yl)3piperidin1ylpropanoate
(8R10R13S17R)17acetoxy17acetyl61013trimethyl23891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3yl3(piperidin1yl)propanoate
(9xi14xi)17(acetyloxy)6methyl20oxopregna46dien3yl3(piperidin1yl)propanoate
CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(CC4)OC(=O)CCN5CCCCC5)C
InChI=1SC32H47NO5c121192526(101431(5)27(25)111532(3122(2)34)3823(3)35)30(4)13924(2028(21)30)3729(36)121833167681733h19202427H618H215H3t24?2526?27?3031+32+m1s1
MFCD05677149
O=C(OC1CC(C@)2(C(=C1)C(=C(C@@H)1C2CC(C@)2(C1CC(C@)2(OC(=O)C)C(=O)C)C)C)C)CCN1CCCCC1
ZINC000012872050
ZINC000253498614
Check stock
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Check stock on Vitas-MAvailable files
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