Vitas-M small molecule compound
(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-[(2E)-4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]cholan-24-amide
Catalog ID
STL538588
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)/N=c\1/scc([nH]1)c1cccnc1)C)C)O)C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C32H45N3O4S MW 567.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H45N3O4S/c1-18(6-9-28(39)35-30-34-25(17-40-30)19-5-4-12-33-16-19)22-7-8-23-29-24(15-27(38)32(22,23)3)31(2)11-10-21(36)13-20(31)14-26(29)37/h4-5,12,16-18,20-24,26-27,29,36-38H,6-11,13-15H2,1-3H3,(H,34,35,39)/t18-,20+,21-,22-,23+,24+,26-,27+,29+InChIKey
PLARWPUWRWNCOT-NKUDSPOASA-NSynonyms
(3alpha5beta7alpha8xi12alpha)3712trihydroxyN((2E)4(pyridin3yl)13thiazol2(3H)ylidene)cholan24amide
(4~(R))~(N)(4pyridin3yl13thiazol2yl)4((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)pentanamide
71691867
InChI=1SC32H45N3O4Sc118(6928(39)35303425(174030)195412331619)2278232924(1527(38)32(2223)3)31(2)111021(36)1320(31)1426(29)37h4512161820242627293638H6111315H213H3(H343539)t1820+212223+24+2627+29+31+32m1s1
ZINC000072325099
ZINC72325099
Check stock
See real-time availability and sample size for STL538588 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.