Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-(methylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK833408
SMILES CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)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 C26H26N4O2S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S/c1-32-19-12-10-18(11-13-19)29-23(31)21-22(30-24(29)27-28-25(30)33-2)20-9-5-4-8-17(20)16-26(21)14-6-3-7-15-26/h4-5,8-13H,3,6-7,14-16H2,1-2H3InChIKey
JIJFNTBTUNIYIY-UHFFFAOYSA-NSynonyms
373369-48-3373369483
4(4methoxyphenyl)1(methylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(4methoxyphenyl)1(methylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SC
InChI=1SC26H26N4O2Sc13219121018(111319)2923(31)2122(3024(29)272825(30)332)20954817(20)1626(21)146371526h45813H3671416H212H3
MFCD01945818
ZINC000002279542
ZINC2279542
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