Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK054750
SMILES CC(=C)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)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 C27H34N2O2S MW 450.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O2S/c1-18(2)17-32-25-28-23-21-10-6-5-9-19(21)15-27(12-7-8-13-27)22(23)24(30)29(25)20-11-14-31-26(3,4)16-20/h5-6,9-10,20H,1,7-8,11-17H2,2-4H3InChIKey
DSYGMULZJSSQTN-UHFFFAOYSA-NSynonyms
337496-29-43(22DIMETHYLOXAN4YL)2(2METHYLPROP2ENYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(22dimethyltetrahydro2Hpyran4yl)2((2methylallyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(22DIMETHYLTETRAHYDRO2HPYRAN4YL)2((2METHYLPROP2EN1YL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
337496294
CC(=C)CSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCC4)CC5=CC=CC=C52
CC(=C)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3
InChI=1SC27H34N2O2Sc118(2)1732252823211065919(21)1527(12781327)22(23)24(30)29(25)2011143126(34)1620h5691020H1781117H224H3
MFCD01549721
STK054750
ZINC000002139546
ZINC000005220585
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