Vitas-M small molecule compound

3-(4-methoxyphenyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK722319
SMILES CCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3

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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/c1-3-16-31-25-27-23-21-9-5-4-8-18(21)17-26(14-6-7-15-26)22(23)24(29)28(25)19-10-12-20(30-2)13-11-19/h4-5,8-13H,3,6-7,14-17H2,1-2H3
InChIKey
UNSYFLRSQUDLBN-UHFFFAOYSA-N
Synonyms
337496-23-8
3(4methoxyphenyl)2(propylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4METHOXYPHENYL)2(PROPYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
3(4methoxyphenyl)2(propylthio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4METHOXYPHENYL)2PROPYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(4METHOXYPHENYL)2PROPYLTHIOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
337496238
CCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC26H28N2O2Sc13163125272321954818(21)1726(14671526)22(23)24(29)28(25)19101220(302)131119h45813H3671417H212H3
MFCD01559256
ZINC000006500927
ZINC06500927
ZINC6500927

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Available files

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