Vitas-M small molecule compound

2-[(3-methylbutyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK995718
SMILES CC(=C)Cn1c(SCCC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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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 C26H34N2OS MW 422.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2OS/c1-18(2)12-15-30-25-27-23-21-11-7-6-10-20(21)16-26(13-8-5-9-14-26)22(23)24(29)28(25)17-19(3)4/h6-7,10-11,18H,3,5,8-9,12-17H2,1-2,4H3
InChIKey
XQFIXRWJFXXWAC-UHFFFAOYSA-N
Synonyms

2((3methylbutyl)sulfanyl)3(2methylprop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(3METHYLBUTYLSULFANYL)3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2(3METHYLBUTYLTHIO)3(2METHYLPROP2ENYL)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2(isopentylthio)3(2methylallyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
CC(C)CCSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCCC3)CC4=CC=CC=C42
InChI=1SC26H34N2OSc118(2)1215302527232111761020(21)1626(138591426)22(23)24(29)28(25)1719(3)4h67101118H35891217H2124H3
MFCD01807050
ZINC000001753688
ZINC01753688
ZINC1753688

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Available files

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