Vitas-M small molecule compound

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

Catalog ID
STK830689
SMILES Cn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)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 C24H24N2OS MW 388.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2OS/c1-26-22(27)20-21(25-23(26)28-16-17-9-3-2-4-10-17)19-12-6-5-11-18(19)15-24(20)13-7-8-14-24/h2-6,9-12H,7-8,13-16H2,1H3
InChIKey
MBACDPDALIBSLD-UHFFFAOYSA-N
Synonyms
300717-93-5
2(benzylsulfanyl)3methyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(BENZYLSULFANYL)3METHYL56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
2(benzylthio)3methyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2BENZYLSULFANYL3METHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
300717935
3METHYL2(PHENYLMETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=CC=C5
InChI=1SC24H24N2OSc12622(27)2021(2523(26)28161793241017)1912651118(19)1524(20)13781424h26912H781316H21H3
MFCD00351444
ZINC000001796217
ZINC01796217
ZINC1796217

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Available files

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