Vitas-M small molecule compound
methyl N-[(3alpha,5beta,7beta,8xi)-3,7-dihydroxy-24-oxocholan-24-yl]-L-alaninate
Catalog ID
STL536568
SMILES COC(=O)[C@@H](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)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 C28H47NO5 MW 477.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H47NO5/c1-16(6-9-24(32)29-17(2)26(33)34-5)20-7-8-21-25-22(11-13-28(20,21)4)27(3)12-10-19(30)14-18(27)15-23(25)31/h16-23,25,30-31H,6-15H2,1-5H3,(H,29,32)/t16-,17+,18+,19-,20-,21+,22+,23+,25+,27+,28-/m1/s1InChIKey
CYBYBMHJHIFSJH-AOHGAYBOSA-NSynonyms
1491146-51-0(S)methyl2((R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamido)propanoate
1491146510
52994359
COC(=O)(C@@H)(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)C
InChI=1SC28H47NO5c116(6924(32)2917(2)26(33)345)2078212522(111328(2021)4)27(3)121019(30)1418(27)1523(25)31h1623253031H615H215H3(H2932)t1617+18+192021+22+23+25+27+28m1s1
methyl(2~(S))2(((4~(R))4((3~(R)5~(S)7~(S)8~(R)9~(S)10~(S)13~(R)14~(S)17~(R))37dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanoyl)amino)propanoate
methylN((3alpha5beta7beta8xi)37dihydroxy24oxocholan24yl)Lalaninate
ZINC000070666140
ZINC70666140
Check stock
See real-time availability and sample size for STL536568 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.