Vitas-M small molecule compound
3-(4-methylphenyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK805691
SMILES CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(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 C25H26N2OS MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2OS/c1-17-10-12-19(13-11-17)27-23(28)21-22(26-24(27)29-2)20-9-5-4-8-18(20)16-25(21)14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-16H2,1-2H3InChIKey
QCZNPFNCBDJERF-UHFFFAOYSA-NSynonyms
289711-72-42(methylthio)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
289711724
3(4methylphenyl)2(methylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHYLPHENYL)2METHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4METHYLPHENYL)2METHYLTHIOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC
InChI=1SC25H26N2OSc117101219(131117)2723(28)2122(2624(27)292)20954818(20)1625(21)146371525h45813H3671416H212H3
MFCD00688836
ZINC000001901641
ZINC01901641
ZINC1901641
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