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Vitas-M small molecule compound

N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine

Catalog ID
STL565148
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)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 C26H43NO6 MW 465.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
InChIKey
RFDAIACWWDREDC-FRVQLJSFSA-N
Synonyms
475-31-0
10140
2(((4R)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentanoyl)amino)aceticacid
2((R)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamido)aceticacidhydrate
3ALPHA7ALPHA12ALPHATRIHYDROXY5BETACHOLAN24OICACIDN(CARBOXYMETHYL)AMIDE
3ALPHA7ALPHA12ALPHATRIHYDROXY5BETACHOLAN24OYLGLYCINE
475310
CHOLYLGLYCINE
GLYCINENCHOLOYL
GLYCOCHOLATE
GLYCOCHOLICACID
GLYCOCHOLICACIDFREEACID
GLYCOCHOLICACIDHYDRATE
InChI=1SC26H43NO6c114(4722(31)271323(32)33)1756182419(1221(30)26(1718)3)25(2)9816(28)1015(25)1120(24)29h1421242830H413H213H3(H2731)(H3233)t1415+161718+19+2021+24+25+26m1s1
N((3alpha5beta7alpha8xi12alpha)3712trihydroxy24oxocholan24yl)glycine
N(3ALPHA7ALPHA12ALPHATRIHYDROXY5BETACHOLAN24OYL)GLYCINE
N(3ALPHA7ALPHA12ALPHATRIHYDROXYCHOLAN24OYL)GLYCINE
N(CARBOXYMETHYL)3ALPHA7ALPHA12ALPHATRIHYDROXYGLYCINECHOLATE
NCHOLOYLGLYCINE
NCHOLYLGLYCINE
O(C@@H)1CC(C@)2((C@@H)(C1)C(C@H)((C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)NCC(=O)O)C)C)O)CO
ZINC000008143774

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Available files

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