Vitas-M small molecule compound
ethyl {[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Catalog ID
STK553172
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)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)17-33-26-28-24-21-12-5-4-10-19(21)16-27(13-6-7-14-27)23(24)25(31)29(26)20-11-8-9-18(2)15-20/h4-5,8-12,15H,3,6-7,13-14,16-17H2,1-2H3InChIKey
LBOZBZJKTYWMPS-UHFFFAOYSA-NSynonyms
799833-43-5799833435
CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCC4)CC5=CC=CC=C52
ethyl((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetate
ethyl2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetate
ETHYL2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETATE
InChI=1SC27H28N2O3Sc133222(30)17332628242112541019(21)1627(13671427)23(24)25(31)29(26)20118918(2)1520h4581215H36713141617H212H3
MFCD03684782
ZINC000002246435
ZINC02246435
ZINC2246435
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