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Vitas-M small molecule compound

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

Catalog ID
STL536518
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[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 C29H44N2O3 MW 468.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N2O3/c1-18(4-7-26(34)31-20-10-14-30-15-11-20)22-5-6-23-27-24(9-13-29(22,23)3)28(2)12-8-21(32)16-19(28)17-25(27)33/h10-11,14-15,18-19,21-25,27,32-33H,4-9,12-13,16-17H2,1-3H3,(H,30,31,34)/t18-,19+,21-,22-,23+,24+,25+,27+,28+,29-/m1/s1
InChIKey
IYDCQJFBEZUITQ-KJDQENKNSA-N
Synonyms
1397966-93-6
(3alpha5beta7beta8xi)37dihydroxyN(pyridin4yl)cholan24amide
(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)~(N)pyridin4ylpentanamide
(R)4((3R5S7S8R9S10S13R14S17R)37dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(pyridin4yl)pentanamide
1397966936
52994386
InChI=1SC29H44N2O3c118(4726(34)3120101430151120)2256232724(91329(2223)3)28(2)12821(32)1619(28)1725(27)33h1011141518192125273233H4912131617H213H3(H303134)t1819+212223+24+25+27+28+29m1s1
N(4PYRIDYL)3ALPHA7BETADIHYDROXY5BETACHOLANE24AMIDE
O(C@@H)1CC(C@)2((C@@H)(C1)C(C@@H)((C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)Nc1ccncc1)C)C)O)C
ZINC000070666153
ZINC70666153

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Available files

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