Vitas-M small molecule compound
3-cyclohexyl-2-[(4-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK539045
SMILES Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)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 C31H36N2OS MW 484.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2OS/c1-22-14-16-23(17-15-22)21-35-30-32-28-26-13-7-6-10-24(26)20-31(18-8-3-9-19-31)27(28)29(34)33(30)25-11-4-2-5-12-25/h6-7,10,13-17,25H,2-5,8-9,11-12,18-21H2,1H3InChIKey
PUOJIWDDXQJHAF-UHFFFAOYSA-NSynonyms
384797-32-4384797324
3cyclohexyl2((4methylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3cyclohexyl2((4methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3CYCLOHEXYL2((4METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4CCCCC4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC31H36N2OSc122141623(171522)21353032282613761024(26)2031(188391931)27(28)29(34)33(30)25114251225h6710131725H258911121821H21H3
MFCD03284368
ZINC000001781756
ZINC01781756
ZINC1781756
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