Vitas-M small molecule compound
(3alpha,5beta,12alpha)-3,12-dihydroxy-24-(thiomorpholin-4-yl)cholan-24-one
Catalog ID
STL538270
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)N1CCSCC1)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 C28H47NO3S MW 477.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H47NO3S/c1-18(4-9-26(32)29-12-14-33-15-13-29)22-7-8-23-21-6-5-19-16-20(30)10-11-27(19,2)24(21)17-25(31)28(22,23)3/h18-25,30-31H,4-17H2,1-3H3/t18-,19-,20-,21+,22-,23+,24+,25+,27+,28-/m1/s1InChIKey
FKQXRNWHPITKMH-BJICXTOASA-NSynonyms
(3alpha5beta12alpha)312dihydroxy24(thiomorpholin4yl)cholan24one
(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)1thiomorpholin4ylpentan1one
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)1thiomorpholinopentan1one
71691886
InChI=1SC28H47NO3Sc118(4926(32)29121433151329)2278232165191620(30)101127(192)24(21)1725(31)28(2223)3h18253031H417H213H3t18192021+2223+24+25+27+28m1s1
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)N1CCSCC1)C)C)C
ZINC000072325138
ZINC72325138
Check stock
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