Vitas-M small molecule compound

2-({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-(pyridin-4-ylmethyl)acetamide

Catalog ID
STL526506
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCc3ccncc3)/CC[C@]12C

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 C29H37N3O3 MW 475.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O3/c1-4-29(34)14-9-25-23-6-5-21-17-22(7-12-27(21,2)24(23)8-13-28(25,29)3)32-35-19-26(33)31-18-20-10-15-30-16-11-20/h1,10-11,15-17,23-25,34H,5-9,12-14,18-19H2,2-3H3,(H,31,33)/b32-22+/t23?,24?,25?,27-,28-,29+/m0/s1
InChIKey
BEHVDOBUKFSOBR-MRECPXKCSA-N
Synonyms

2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(pyridin4ylmethyl)acetamide
2((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)N(pyridin4ylmethyl)acetamide
2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(pyridin4ylmethyl)acetamide
71753131
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NCc3ccncc3)CC(C@)12C
InChI=1SC29H37N3O3c1429(34)149252365211722(71227(212)24(23)81328(2529)3)32351926(33)311820101530161120h110111517232534H5912141819H223H3(H3133)b3222+t23?24?25?272829+m0s1
ZINC000085889196
ZINC001772492378

Check stock

See real-time availability and sample size for STL526506 on the Vitas-M platform.

Check stock on Vitas-M

Available files

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