VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-[4-(4-methoxyphenyl)piperazin-1-yl]cholan-24-one

Catalog ID
STL538690
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)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 C35H54N2O5 MW 582.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H54N2O5/c1-22(5-12-32(41)37-17-15-36(16-18-37)24-6-8-26(42-4)9-7-24)27-10-11-28-33-29(21-31(40)35(27,28)3)34(2)14-13-25(38)19-23(34)20-30(33)39/h6-9,22-23,25,27-31,33,38-40H,5,10-21H2,1-4H3/t22-,23+,25-,27-,28+,29+,30-,31+,33+,34+,35-/m1/s1
InChIKey
VFIVHNCRWMNYMI-UMDUTULISA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxy24(4(4methoxyphenyl)piperazin1yl)cholan24one
(4~(R))1(4(4methoxyphenyl)piperazin1yl)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)pentan1one
(R)1(4(4methoxyphenyl)piperazin1yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
71692103
COc1ccc(cc1)N1CCN(CC1)C(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)(C@@H)(O)C(C@H)1(C@H)2(C@H)(O)C(C@H)2(C@)1(C)CC(C@H)(C2)O)C
InChI=1SC35H54N2O5c122(51232(41)37171536(161837)246826(424)9724)271011283329(2131(40)35(2728)3)34(2)141325(38)1923(34)2030(33)39h692223252731333840H51021H214H3t2223+252728+29+3031+33+34+35m1s1
ZINC000079188252
ZINC79188252

Check stock

See real-time availability and sample size for STL538690 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS