Vitas-M small molecule compound
(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(pyridin-3-yl)cholan-24-amide
Catalog ID
STL536357
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)Nc1cccnc1)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(6-11-27(34)31-20-5-4-14-30-17-20)23-9-10-24-22-8-7-19-15-21(32)12-13-28(19,2)25(22)16-26(33)29(23,24)3/h4-5,14,17-19,21-26,32-33H,6-13,15-16H2,1-3H3,(H,31,34)/t18-,19-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1InChIKey
VVEBJZDKDJCYQK-FKKYTCBOSA-NSynonyms
2334482-98-1(3alpha5beta12alpha)312dihydroxyN(pyridin3yl)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)pyridin3ylpentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(pyridin3yl)pentanamide
2334482981
56723751
InChI=1SC29H44N2O3c118(61127(34)31205414301720)23910242287191521(32)121328(192)25(22)1626(33)29(2324)3h4514171921263233H6131516H213H3(H3134)t18192122+2324+25+26+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)Nc1cccnc1)C)C)C
ZINC000070666288
ZINC70666288
Check stock
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Check stock on Vitas-MAvailable files
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