Vitas-M small molecule compound
3-(2-methoxyphenyl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK835261
SMILES C#CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)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 C27H26N2O2S MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O2S/c1-3-17-32-26-28-24-20-12-6-5-11-19(20)18-27(15-9-4-10-16-27)23(24)25(30)29(26)21-13-7-8-14-22(21)31-2/h1,5-8,11-14H,4,9-10,15-18H2,2H3InChIKey
GYIIWBFUWQUOAX-UHFFFAOYSA-NSynonyms
3(2methoxyphenyl)2(prop2yn1ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2methoxyphenyl)2(prop2yn1ylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHOXYPHENYL)2PROP2YNYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(2METHOXYPHENYL)2PROP2YNYLTHIOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C
InChI=1SC27H26N2O2Sc1317322628242012651119(20)1827(1594101627)23(24)25(30)29(26)2113781422(21)312h1581114H49101518H22H3
MFCD01993040
ZINC000002294130
ZINC02294130
ZINC2294130
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