Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK844573
SMILES COc1ccc(cc1)n1c(SCC(=C)C)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 C27H28N2O2S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S/c1-18(2)17-32-26-28-24-22-9-5-4-8-19(22)16-27(14-6-7-15-27)23(24)25(30)29(26)20-10-12-21(31-3)13-11-20/h4-5,8-13H,1,6-7,14-17H2,2-3H3InChIKey
RAEQNQWAFWENMY-UHFFFAOYSA-NSynonyms
361179-15-93(4methoxyphenyl)2((2methylallyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4methoxyphenyl)2((2methylprop2en1yl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4METHOXYPHENYL)2(2METHYLPROP2ENYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
361179159
CC(=C)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC27H28N2O2Sc118(2)173226282422954819(22)1627(14671527)23(24)25(30)29(26)20101221(313)131120h45813H1671417H223H3
MFCD01992981
ZINC000002254400
ZINC02254400
ZINC2254400
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