Vitas-M small molecule compound

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

Catalog ID
STK805410
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)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 C27H28N2O3S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S/c1-3-32-22(30)17-33-26-28-24-21-9-5-4-8-19(21)16-27(14-6-7-15-27)23(24)25(31)29(26)20-12-10-18(2)11-13-20/h4-5,8-13H,3,6-7,14-17H2,1-2H3
InChIKey
WXZQJVQCCRZEMA-UHFFFAOYSA-N
Synonyms
289711-66-6
289711666
CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCC4)CC5=CC=CC=C52
ethyl((3(4methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetate
ethyl2((4oxo3(ptolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetate
ETHYL2(3(4METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETATE
InChI=1SC27H28N2O3Sc133222(30)173326282421954819(21)1627(14671527)23(24)25(31)29(26)20121018(2)111320h45813H3671417H212H3
MFCD01174957
ZINC000002117640
ZINC02117640
ZINC2117640

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Available files

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