Vitas-M small molecule compound
2-[(2,4-dichlorobenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK550707
SMILES CC(=C)Cn1c(SCc2ccc(cc2Cl)Cl)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 C27H26Cl2N2OS MW 497.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N2OS/c1-17(2)15-31-25(32)23-24(30-26(31)33-16-19-9-10-20(28)13-22(19)29)21-8-4-3-7-18(21)14-27(23)11-5-6-12-27/h3-4,7-10,13H,1,5-6,11-12,14-16H2,2H3InChIKey
OVICHFIHKQEELR-UHFFFAOYSA-NSynonyms
840455-65-42((24dichlorobenzyl)sulfanyl)3(2methylprop2en1yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((24dichlorobenzyl)thio)3(2methylallyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((24DICHLOROPHENYL)METHYLSULFANYL)3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
840455654
CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=C(C=C(C=C5)Cl)Cl
InChI=1SC27H26Cl2N2OSc117(2)153125(32)2324(3026(31)33161991020(28)1322(19)29)21843718(21)1427(23)11561227h3471013H15611121416H22H3
MFCD01807055
ZINC000002256320
ZINC02256320
ZINC2256320
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