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Vitas-M small molecule compound

(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(pyridin-4-yl)cholan-24-amide

Catalog ID
STL538294
SMILES O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)Nc1ccncc1)C)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 C29H44N2O3 MW 468.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N2O3/c1-18(4-9-27(34)31-20-11-14-30-15-12-20)23-7-8-24-22-6-5-19-16-21(32)10-13-28(19,2)25(22)17-26(33)29(23,24)3/h11-12,14-15,18-19,21-26,32-33H,4-10,13,16-17H2,1-3H3,(H,30,31,34)/t18-,19-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1
InChIKey
IYBYIAFKLGOYCG-FKKYTCBOSA-N
Synonyms
1397966-81-2
(3alpha5beta12alpha)312dihydroxyN(pyridin4yl)cholan24amide
(4~(R))4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)pyridin4ylpentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(pyridin4yl)pentanamide
1397966812
71692275
InChI=1SC29H44N2O3c118(4927(34)3120111430151220)2378242265191621(32)101328(192)25(22)1726(33)29(2324)3h11121415181921263233H410131617H213H3(H303134)t18192122+2324+25+26+28+29m1s1
N(4PYRIDYL)3ALPHA12ALPHADIHYDROXY5BETACHOLANE24AMIDE
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)Nc1ccncc1)C)C)C
ZINC000072326072
ZINC72326072

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Available files

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