Vitas-M small molecule compound

(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(1,3-thiazol-2-yl)cholan-24-amide

Catalog ID
STL536388
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)Nc1nccs1)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 C27H42N2O3S MW 474.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N2O3S/c1-16(4-9-24(32)29-25-28-12-13-33-25)20-7-8-21-19-6-5-17-14-18(30)10-11-26(17,2)22(19)15-23(31)27(20,21)3/h12-13,16-23,30-31H,4-11,14-15H2,1-3H3,(H,28,29,32)/t16-,17-,18-,19+,20-,21+,22+,23+,26+,27-/m1/s1
InChIKey
YIFYRCSQRMPXAQ-IOJOMAJISA-N
Synonyms
221900-24-9
(3alpha5beta12alpha)312dihydroxyN(13thiazol2yl)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)(13thiazol2yl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(thiazol2yl)pentanamide
221900249
56723652
InChI=1SC27H42N2O3Sc116(4924(32)29252812133325)2078211965171418(30)101126(172)22(19)1523(31)27(2021)3h121316233031H4111415H213H3(H282932)t16171819+2021+22+23+26+27m1s1
N(THIAZOL2YL)3ALPHA12ALPHADIHYDROXY5BETACHOLAN24AMIDE
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)Nc1nccs1)C)C)C
ZINC000070666165
ZINC70666165

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Available files

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