Vitas-M small molecule compound
methyl N-(3,7-dihydroxy-24-oxocholan-24-yl)phenylalaninate
Catalog ID
STL470857
SMILES COC(=O)C(Cc1ccccc1)NC(=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 C34H51NO5 MW 553.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H51NO5/c1-21(10-13-30(38)35-28(32(39)40-4)18-22-8-6-5-7-9-22)25-11-12-26-31-27(15-17-34(25,26)3)33(2)16-14-24(36)19-23(33)20-29(31)37/h5-9,21,23-29,31,36-37H,10-20H2,1-4H3,(H,35,38)InChIKey
ORSOPYMPHBFXBN-UHFFFAOYSA-NSynonyms
(S)methyl2((R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamido)3phenylpropanoate
CC(CCC(=O)NC(CC1=CC=CC=C1)C(=O)OC)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C
COC(=O)(C@H)(Cc1ccccc1)NC(=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
InChI=1SC34H51NO5c121(101330(38)3528(32(39)404)18228657922)251112263127(151734(2526)3)33(2)161424(36)1923(33)2029(31)37h59212329313637H1020H214H3(H3538)
methyl2(4(37dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentanoylamino)3phenylpropanoate
methylN(37dihydroxy24oxocholan24yl)phenylalaninate
MFCD31751155
ZINC000334162173
ZINC000334162176
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.