Vitas-M small molecule compound
ethyl [(3-cyclopentyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetate
Catalog ID
STK045817
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCC1)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 C25H30N2O3S MW 438.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O3S/c1-2-30-20(28)16-31-24-26-22-19-12-6-3-9-17(19)15-25(13-7-8-14-25)21(22)23(29)27(24)18-10-4-5-11-18/h3,6,9,12,18H,2,4-5,7-8,10-11,13-16H2,1H3InChIKey
DGRQLPADLUMWGJ-UHFFFAOYSA-NSynonyms
312625-92-6312625926
CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCC4)CC5=CC=CC=C52
CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCC1)CCCC3
ETHYL((3CYCLOPENTYL4OXO46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)2YL)SULFANYL)ACETATE
ethyl2((3cyclopentyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetate
ETHYL2(3CYCLOPENTYL4OXOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YLTHIO)ACETATE
ETHYL2(3CYCLOPENTYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETATE
InChI=1SC25H30N2O3Sc123020(28)1631242622191263917(19)1525(13781425)21(22)23(29)27(24)1810451118h3691218H2457810111316H21H3
MFCD01558033
STK045817
ZINC000002183048
ZINC02183048
ZINC2183048
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.