Vitas-M small molecule compound
(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-(thiomorpholin-4-yl)cholan-24-one
Catalog ID
STL538241
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)N1CCSCC1)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 C28H47NO4S MW 493.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H47NO4S/c1-17(4-7-25(33)29-10-12-34-13-11-29)20-5-6-21-26-22(16-24(32)28(20,21)3)27(2)9-8-19(30)14-18(27)15-23(26)31/h17-24,26,30-32H,4-16H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,26+,27+,28-/m1/s1InChIKey
FWBMVKAALUUDMW-SREHDYERSA-NSynonyms
(3alpha5beta7alpha8xi12alpha)3712trihydroxy24(thiomorpholin4yl)cholan24one
(4~(R))1thiomorpholin4yl4((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)pentan1one
(R)1thiomorpholino4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
71691895
InChI=1SC28H47NO4Sc117(4725(33)29101234131129)2056212622(1624(32)28(2021)3)27(2)9819(30)1418(27)1523(26)31h1724263032H416H213H3t1718+192021+22+2324+26+27+28m1s1
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)N1CCSCC1)C)C)O)C
ZINC000072325155
ZINC72325155
Check stock
See real-time availability and sample size for STL538241 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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