Vitas-M small molecule compound
(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(pyridin-2-yl)cholan-24-amide
Catalog ID
STL536410
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)Nc1ccccn1)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(7-12-27(34)31-26-6-4-5-15-30-26)22-10-11-23-21-9-8-19-16-20(32)13-14-28(19,2)24(21)17-25(33)29(22,23)3/h4-6,15,18-25,32-33H,7-14,16-17H2,1-3H3,(H,30,31,34)/t18-,19-,20-,21+,22-,23+,24+,25+,28+,29-/m1/s1InChIKey
QTGAAWJSYNHUJZ-DVJLPHKYSA-NSynonyms
(3alpha5beta12alpha)312dihydroxyN(pyridin2yl)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)pyridin2ylpentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(pyridin2yl)pentanamide
56723659
InChI=1SC29H44N2O3c118(71227(34)3126645153026)221011232198191620(32)131428(192)24(21)1725(33)29(2223)3h461518253233H7141617H213H3(H303134)t18192021+2223+24+25+28+29m1s1
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)Nc1ccccn1)C)C)C
ZINC000070666173
ZINC70666173
Check stock
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