Vitas-M small molecule compound

3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK805466
SMILES C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)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 C26H26N2OS MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2OS/c1-3-16-30-25-27-23-21-9-5-4-8-19(21)17-26(14-6-7-15-26)22(23)24(29)28(25)20-12-10-18(2)11-13-20/h3-5,8-13H,1,6-7,14-17H2,2H3
InChIKey
LKDOHAIGCZATGK-UHFFFAOYSA-N
Synonyms
289711-67-7
2(ALLYLSULFANYL)3(4METHYLPHENYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
2(allylthio)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
289711677
3(4methylphenyl)2(prop2en1ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4METHYLPHENYL)2PROP2ENYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC=C
InChI=1SC26H26N2OSc13163025272321954819(21)1726(14671526)22(23)24(29)28(25)20121018(2)111320h35813H1671417H22H3
MFCD01174959
ZINC000001781932
ZINC01781932
ZINC1781932

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Available files

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