Vitas-M small molecule compound

3-(3-methylphenyl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK541516
SMILES CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

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 C28H32N2OS MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2OS/c1-3-4-9-17-32-27-29-25-23-14-6-5-12-21(23)19-28(15-7-8-16-28)24(25)26(31)30(27)22-13-10-11-20(2)18-22/h5-6,10-14,18H,3-4,7-9,15-17,19H2,1-2H3
InChIKey
TYHTZBUBVWZZGZ-UHFFFAOYSA-N
Synonyms
487026-59-5
2(pentylthio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3methylphenyl)2(pentylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3METHYLPHENYL)2PENTYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
487026595
CCCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2OSc134917322729252314651221(23)1928(15781628)24(25)26(31)30(27)2213101120(2)1822h56101418H3479151719H212H3
MFCD03286799
ZINC000001813470
ZINC01813470
ZINC1813470

Check stock

See real-time availability and sample size for STK541516 on the Vitas-M platform.

Check stock on Vitas-M

Available files

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