Vitas-M small molecule compound
3-(3-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK831357
SMILES C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)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 C27H28N2O2S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S/c1-3-16-32-26-28-24-22-13-6-5-10-19(22)18-27(14-7-4-8-15-27)23(24)25(30)29(26)20-11-9-12-21(17-20)31-2/h3,5-6,9-13,17H,1,4,7-8,14-16,18H2,2H3InChIKey
NZLJVUPSJGTHOQ-UHFFFAOYSA-NSynonyms
2(allylthio)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3methoxyphenyl)2(prop2en1ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3METHOXYPHENYL)2PROP2ENYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC=C
InChI=1SC27H28N2O2Sc1316322628242213651019(22)1827(147481527)23(24)25(30)29(26)201191221(1720)312h35691317H1478141618H22H3
MFCD02236927
ZINC000002295387
ZINC02295387
ZINC2295387
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