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

(3alpha,5beta,7alpha,8xi,12alpha)-N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3,7,12-trihydroxycholan-24-amide

Catalog ID
STL538243
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)NCCSc1ccc(cc1)Cl)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 C32H48ClNO4S MW 578.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H48ClNO4S/c1-19(4-11-29(38)34-14-15-39-23-7-5-21(33)6-8-23)24-9-10-25-30-26(18-28(37)32(24,25)3)31(2)13-12-22(35)16-20(31)17-27(30)36/h5-8,19-20,22,24-28,30,35-37H,4,9-18H2,1-3H3,(H,34,38)/t19-,20+,22-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
InChIKey
YXNVWKAVWARGCM-QCHAHOTISA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)N(2((4chlorophenyl)sulfanyl)ethyl)3712trihydroxycholan24amide
(4~(R))~(N)(2(4chlorophenyl)sulfanylethyl)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
(R)N(2((4chlorophenyl)thio)ethyl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692209
InChI=1SC32H48ClNO4Sc119(41129(38)34141539237521(33)6823)24910253026(1828(37)32(2425)3)31(2)131222(35)1620(31)1727(30)36h581920222428303537H4918H213H3(H3438)t1920+222425+26+2728+30+31+32m1s1
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)NCCSc1ccc(cc1)Cl)C)C)O)C
ZINC000072325907
ZINC72325907

Check stock

See real-time availability and sample size for STL538243 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