Vitas-M small molecule compound

2-[(2,4-dichlorobenzyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK544496
SMILES Cc1cccc(c1)n1c(SCc2ccc(cc2Cl)Cl)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 C31H28Cl2N2OS MW 547.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28Cl2N2OS/c1-20-8-7-10-24(16-20)35-29(36)27-28(34-30(35)37-19-22-12-13-23(32)17-26(22)33)25-11-4-3-9-21(25)18-31(27)14-5-2-6-15-31/h3-4,7-13,16-17H,2,5-6,14-15,18-19H2,1H3
InChIKey
PGECOLBCNKEYRR-UHFFFAOYSA-N
Synonyms
488095-34-7
2((24dichlorobenzyl)sulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24dichlorobenzyl)thio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24DICHLOROPHENYL)METHYLSULFANYL)3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
488095347
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=C(C=C(C=C6)Cl)Cl
InChI=1SC31H28Cl2N2OSc120871024(1620)3529(36)2728(3430(35)371922121323(32)1726(22)33)251143921(25)1831(27)145261531h347131617H25614151819H21H3
MFCD03288228
ZINC000001825897
ZINC01825897
ZINC1825897

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Available files

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