Vitas-M small molecule compound
3-(4-methoxybenzyl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK017464
SMILES COc1ccc(cc1)Cn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
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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 C28H32N2O2S MW 460.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O2S/c1-19(2)33-27-29-25-23-10-6-5-9-21(23)17-28(15-7-4-8-16-28)24(25)26(31)30(27)18-20-11-13-22(32-3)14-12-20/h5-6,9-14,19H,4,7-8,15-18H2,1-3H3InChIKey
NXGITOFBZNCUFR-UHFFFAOYSA-NSynonyms
337495-64-42(isopropylthio)3(4methoxybenzyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3((4METHOXYPHENYL)METHYL)2(METHYLETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3((4METHOXYPHENYL)METHYL)2PROPAN2YLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4METHOXYBENZYL)2(PROPAN2YLSULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
337495644
CC(C)SC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52
COc1ccc(cc1)Cn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC28H32N2O2Sc119(2)33272925231065921(23)1728(157481628)24(25)26(31)30(27)1820111322(323)141220h5691419H4781518H213H3
MFCD01559180
STK017464
ZINC000002254709
ZINC02254709
ZINC2254709
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.