Vitas-M small molecule compound

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

Catalog ID
STK544837
SMILES Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

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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 C28H28Cl2N2OS MW 511.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28Cl2N2OS/c1-18(2)16-32-26(33)24-25(31-27(32)34-17-20-10-11-21(29)14-23(20)30)22-9-5-4-8-19(22)15-28(24)12-6-3-7-13-28/h4-5,8-11,14H,1,3,6-7,12-13,15-17H2,2H3
InChIKey
UOHBIZRGHBBNPL-UHFFFAOYSA-N
Synonyms
488812-10-8
2((24dichlorobenzyl)sulfanyl)3(2methylprop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24dichlorobenzyl)thio)3(2methylallyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24DICHLOROPHENYL)METHYLSULFANYL)3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
488812108
CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=C(C=C(C=C5)Cl)Cl
InChI=1SC28H28Cl2N2OSc118(2)163226(33)2425(3127(32)341720101121(29)1423(20)30)22954819(22)1528(24)126371328h4581114H136712131517H22H3
MFCD03293545
ZINC000001813940
ZINC01813940
ZINC1813940

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Available files

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