Vitas-M small molecule compound
2-[(3-methylbenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK551012
SMILES Cc1cccc(c1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3
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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)33-19-22-11-9-10-21(3)16-22)24-13-6-5-12-23(24)17-29(25)14-7-4-8-15-29/h5-6,9-13,16H,1,4,7-8,14-15,17-19H2,2-3H3InChIKey
SIIGLHFJQFKWSN-UHFFFAOYSA-NSynonyms
799828-24-32((3methylbenzyl)sulfanyl)3(2methylprop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((3METHYLPHENYL)METHYLSULFANYL)3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(2methylallyl)2((3methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
799828243
CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCCC4)CC5=CC=CC=C53
InChI=1SC29H32N2OSc120(2)183127(32)2526(3028(31)3319221191021(3)1622)2413651223(24)1729(25)147481529h5691316H147814151719H223H3
MFCD03683649
ZINC000002240536
ZINC02240536
ZINC2240536
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