Vitas-M small molecule compound

3-(4-methoxybenzyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK087539
SMILES CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccc(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 C26H28N2O2S MW 432.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O2S/c1-30-20-12-10-18(11-13-20)17-28-24(29)22-23(27-25(28)31-2)21-9-5-4-8-19(21)16-26(22)14-6-3-7-15-26/h4-5,8-13H,3,6-7,14-17H2,1-2H3
InChIKey
WDPUONYIHSRQHN-UHFFFAOYSA-N
Synonyms
337495-43-9
3((4METHOXYPHENYL)METHYL)2METHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3((4METHOXYPHENYL)METHYL)2METHYLTHIOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4METHOXYBENZYL)2(METHYLSULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
3(4methoxybenzyl)2(methylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
337495439
COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC
CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccc(cc1)OC)CCCCC3
InChI=1SC26H28N2O2Sc13020121018(111320)172824(29)2223(2725(28)312)21954819(21)1626(22)146371526h45813H3671417H212H3
MFCD01556733
STK087539
ZINC000002346769
ZINC02346769
ZINC2346769

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.