Vitas-M small molecule compound

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

Catalog ID
STK805606
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)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 C24H30N2OS MW 394.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2OS/c1-4-5-14-28-23-25-21-19-11-7-6-10-18(19)15-24(12-8-9-13-24)20(21)22(27)26(23)16-17(2)3/h6-7,10-11H,2,4-5,8-9,12-16H2,1,3H3
InChIKey
FEEFNVOSQHNXDQ-UHFFFAOYSA-N
Synonyms
354547-08-3
2(BUTYLSULFANYL)3(2METHYL2PROPENYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
2(butylsulfanyl)3(2methylprop2en1yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(butylthio)3(2methylallyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2BUTYLSULFANYL3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
354547083
CCCCSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCC3)CC4=CC=CC=C42
InChI=1SC24H30N2OSc14514282325211911761018(19)1524(12891324)20(21)22(27)26(23)1617(2)3h671011H245891216H213H3
MFCD01558733
ZINC000002095990
ZINC02095990
ZINC2095990

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Available files

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