Vitas-M small molecule compound
ethyl 4-(3,7-dihydroxy-24-oxocholan-24-yl)piperazine-1-carboxylate
Catalog ID
STL470834
SMILES CCOC(=O)N1CCN(CC1)C(=O)CCC(C1CCC2C1(C)CCC1C2C(O)CC2C1(C)CCC(C2)O)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 C31H52N2O5 MW 532.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H52N2O5/c1-5-38-29(37)33-16-14-32(15-17-33)27(36)9-6-20(2)23-7-8-24-28-25(11-13-31(23,24)4)30(3)12-10-22(34)18-21(30)19-26(28)35/h20-26,28,34-35H,5-19H2,1-4H3InChIKey
GXOSOLHKVMYJQT-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCN(CC1)C(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2(C@@H)(O)C(C@H)2(C@)1(C)CC(C@H)(C2)O)C
CCOC(=O)N1CCN(CC1)C(=O)CCC(C)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C
ethyl4((R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanoyl)piperazine1carboxylate
ethyl4(37dihydroxy24oxocholan24yl)piperazine1carboxylate
ethyl4(4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentanoyl)piperazine1carboxylate
InChI=1SC31H52N2O5c153829(37)33161432(151733)27(36)9620(2)2378242825(111331(2324)4)30(3)121022(34)1821(30)1926(28)35h2026283435H519H214H3
MFCD31751139
ZINC000334161676
ZINC000334161683
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.