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

4-[({6-[(4-{[(9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]hexanoyl}amino)methyl]benzoic acid

Catalog ID
STL007749
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=CC(=O)CC[C@]12C)NCCCCCC(=O)NCc1ccc(cc1)C(=O)O

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 C39H52N2O9 MW 692.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H52N2O9/c1-37-18-15-28(42)22-27(37)11-12-29-30(37)16-19-38(2)31(29)17-20-39(38,49)32(43)24-50-35(46)14-13-34(45)40-21-5-3-4-6-33(44)41-23-25-7-9-26(10-8-25)36(47)48/h7-10,22,29-31,49H,3-6,11-21,23-24H2,1-2H3,(H,40,45)(H,41,44)(H,47,48)/t29-,30
InChIKey
ZEOALPPNSFEECQ-ADWYCXTMSA-N
Synonyms

4(((6((4(((9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL)OXY)4OXOBUTANOYL)AMINO)HEXANOYL)AMINO)METHYL)BENZOICACID
4((6((4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)hexanoylamino)methyl)benzoicacid
4((6(4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)hexanamido)methyl)benzoicacid
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCC5=CC=C(C=C5)C(=O)O)O)C
InChI=1SC39H52N2O9c137181528(42)2227(37)11122930(37)161938(2)31(29)172039(3849)32(43)245035(46)141334(45)4021534633(44)4123257926(10825)36(47)48h71022293149H3611212324H212H3(H4045)(H4144)(H4748)t2930?31?37+38+39+m1s1
MFCD06765107
O=C(CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCCCCC(=O)NCc1ccc(cc1)C(=O)O
ZINC000079221200
ZINC000079221219

Check stock

See real-time availability and sample size for STL007749 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