Vitas-M small molecule compound

ethyl {[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate

Catalog ID
STK543096
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)CCCC3

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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 C27H28N2O4S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4S/c1-3-33-22(30)17-34-26-28-24-21-12-5-4-9-18(21)16-27(13-6-7-14-27)23(24)25(31)29(26)19-10-8-11-20(15-19)32-2/h4-5,8-12,15H,3,6-7,13-14,16-17H2,1-2H3
InChIKey
NKKHQBRTKQGQKH-UHFFFAOYSA-N
Synonyms
487038-47-1
487038471
CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52
ethyl((3(3methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetate
ethyl2((3(3methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetate
ETHYL2(3(3METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETATE
InChI=1SC27H28N2O4Sc133322(30)1734262824211254918(21)1627(13671427)23(24)25(31)29(26)191081120(1519)322h4581215H36713141617H212H3
MFCD03287499
ZINC000002324324
ZINC02324324
ZINC2324324

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Available files

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