Vitas-M small molecule compound
3-(4-methylbenzyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK805034
SMILES CC(=C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccc(cc1)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)19-33-28-30-26-24-10-6-5-9-23(24)17-29(15-7-4-8-16-29)25(26)27(32)31(28)18-22-13-11-21(3)12-14-22/h5-6,9-14H,1,4,7-8,15-19H2,2-3H3InChIKey
IAYPFHFWJCJVTL-UHFFFAOYSA-NSynonyms
4642-71-12((2methylallyl)thio)3(4methylbenzyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3((4METHYLPHENYL)METHYL)2(2METHYLPROP2ENYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4methylbenzyl)2((2methylprop2en1yl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
4642711
CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=C)C
InChI=1SC29H32N2OSc120(2)1933283026241065923(24)1729(157481629)25(26)27(32)31(28)1822131121(3)121422h56914H14781519H223H3
MFCD01807181
ZINC000001781774
ZINC01781774
ZINC1781774
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