Vitas-M small molecule compound

3-(4-methylphenyl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK832706
SMILES C#CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)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 C27H26N2OS MW 426.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2OS/c1-3-17-31-26-28-24-22-10-6-5-9-20(22)18-27(15-7-4-8-16-27)23(24)25(30)29(26)21-13-11-19(2)12-14-21/h1,5-6,9-14H,4,7-8,15-18H2,2H3
InChIKey
CBMWTJIYKQXKJH-UHFFFAOYSA-N
Synonyms
289711-79-1
2(prop2yn1ylthio)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
289711791
3(4methylphenyl)2(prop2yn1ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHYLPHENYL)2PROP2YNYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C
InChI=1SC27H26N2OSc131731262824221065920(22)1827(157481627)23(24)25(30)29(26)21131119(2)121421h156914H4781518H22H3
MFCD01175000
ZINC000001906490
ZINC01906490
ZINC1906490

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Available files

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