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Vitas-M small molecule compound

(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(pyridin-4-yl)cholan-24-amide

Catalog ID
STL538646
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)Nc1ccncc1)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 C29H44N2O4 MW 484.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N2O4/c1-17(4-7-26(35)31-19-9-12-30-13-10-19)21-5-6-22-27-23(16-25(34)29(21,22)3)28(2)11-8-20(32)14-18(28)15-24(27)33/h9-10,12-13,17-18,20-25,27,32-34H,4-8,11,14-16H2,1-3H3,(H,30,31,35)/t17-,18+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1
InChIKey
FPPUCHSZOAXXQG-OLVWRROUSA-N
Synonyms
1397966-84-5
(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(pyridin4yl)cholan24amide
(4~(R))~(N)pyridin4yl4((3~(R)5~(S)7~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))3712trihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
(R)N(pyridin4yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
1397966845
71691880
InChI=1SC29H44N2O4c117(4726(35)311991230131019)2156222723(1625(34)29(2122)3)28(2)11820(32)1418(28)1524(27)33h910121317182025273234H48111416H213H3(H303135)t1718+202122+23+2425+27+28+29m1s1
N(4PYRIDYL)3ALPHA7ALPHA12ALPHATRIHYDROXY5BETACHOLANE24AMIDE
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)Nc1ccncc1)C)C)O)C
ZINC000072325125
ZINC72325125

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Available files

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