Vitas-M small molecule compound
(9xi,14xi)-17-(acetyloxy)-6-methyl-20-oxopregna-4,6-dien-3-yl 3-(3,5-dimethylpiperidin-1-yl)propanoate
Catalog ID
STL528939
SMILES CC1CN(CCC(=O)OC2CC[C@]3(C(=C2)C(=C[C@@H]2C3CC[C@]3(C2CC[C@]3(OC(=O)C)C(=O)C)C)C)C)CC(C1)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 C34H51NO5 MW 553.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H51NO5/c1-21-16-22(2)20-35(19-21)15-11-31(38)39-26-8-12-32(6)28-9-13-33(7)29(27(28)17-23(3)30(32)18-26)10-14-34(33,24(4)36)40-25(5)37/h17-18,21-22,26-29H,8-16,19-20H2,1-7H3/t21?,22?,26?,27-,28?,29?,32-,33+,34+/m1/s1InChIKey
CPJHDWYZEVQMHG-QKOFBWHYSA-NSynonyms
((8~(R)10~(R)13~(S)17~(R))17acetyl17acetyloxy61013trimethyl123891112141516decahydrocyclopenta(a)phenanthren3yl)3(35dimethylpiperidin1yl)propanoate
(8R10R13S17R)17acetoxy17acetyl61013trimethyl23891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3yl3(35dimethylpiperidin1yl)propanoatehydrochloride
(9xi14xi)17(acetyloxy)6methyl20oxopregna46dien3yl3(35dimethylpiperidin1yl)propanoate
16404955
CC1CN(CCC(=O)OC2CC(C@)3(C(=C2)C(=C(C@@H)2C3CC(C@)3(C2CC(C@)3(OC(=O)C)C(=O)C)C)C)C)CC(C1)CCl
InChI=1SC34H51NO5c1211622(2)2035(1921)151131(38)392681232(6)2891333(7)29(27(28)1723(3)30(32)1826)101434(3324(4)36)4025(5)37h171821222629H8161920H217H3t21?22?26?2728?29?3233+34+m1s1
MFCD06768527
ZINC000070701227
ZINC000253504425
Check stock
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Check stock on Vitas-MAvailable files
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