Vitas-M small molecule compound
2-[(4-chlorobenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK553292
SMILES CC(=C)Cn1c(SCc2ccc(cc2)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 C27H27ClN2OS MW 463.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2OS/c1-18(2)16-30-25(31)23-24(29-26(30)32-17-19-9-11-21(28)12-10-19)22-8-4-3-7-20(22)15-27(23)13-5-6-14-27/h3-4,7-12H,1,5-6,13-17H2,2H3InChIKey
NIXNNZKNBBNJMG-UHFFFAOYSA-NSynonyms
836645-92-22((4chlorobenzyl)sulfanyl)3(2methylprop2en1yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((4chlorobenzyl)thio)3(2methylallyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((4CHLOROPHENYL)METHYLSULFANYL)3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
836645922
CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=C(C=C5)Cl
InChI=1SC27H27ClN2OSc118(2)163025(31)2324(2926(30)32171991121(28)121019)22843720(22)1527(23)13561427h34712H1561317H22H3
MFCD03691618
ZINC000002253318
ZINC02253318
ZINC2253318
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