Vitas-M small molecule compound
2-[(2-methylbenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK549083
SMILES CC(=C)Cn1c(SCc2ccccc2C)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 C29H32N2OS MW 456.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2OS/c1-20(2)18-31-27(32)25-26(30-28(31)33-19-23-13-6-5-11-21(23)3)24-14-8-7-12-22(24)17-29(25)15-9-4-10-16-29/h5-8,11-14H,1,4,9-10,15-19H2,2-3H3InChIKey
KFFUHDOTOKYOON-UHFFFAOYSA-NSynonyms
799796-09-12((2methylbenzyl)sulfanyl)3(2methylprop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2METHYLPHENYL)METHYLSULFANYL)3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(2methylallyl)2((2methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
799796091
CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCCC4)CC5=CC=CC=C53
InChI=1SC29H32N2OSc120(2)183127(32)2526(3028(31)33192313651121(23)3)2414871222(24)1729(25)1594101629h581114H149101519H223H3
MFCD03677528
ZINC000002221165
ZINC02221165
ZINC2221165
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