Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK805522
SMILES C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)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/c1-3-17-32-26-28-24-22-10-6-5-9-19(22)18-27(15-7-4-8-16-27)23(24)25(30)29(26)20-11-13-21(31-2)14-12-20/h3,5-6,9-14H,1,4,7-8,15-18H2,2H3InChIKey
IYXIFBXMMFGACQ-UHFFFAOYSA-NSynonyms
312585-27-62(allylthio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4methoxyphenyl)2(prop2en1ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHOXYPHENYL)2PROP2ENYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4METHOXYPHENYL)2PROP2ENYLTHIOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
312585276
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC=C
InChI=1SC27H28N2O2Sc131732262824221065919(22)1827(157481627)23(24)25(30)29(26)20111321(312)141220h356914H14781518H22H3
MFCD00688845
ZINC000002208338
ZINC02208338
ZINC2208338
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