Vitas-M small molecule compound

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

Catalog ID
STK835329
SMILES CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)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 C25H26N2OS MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2OS/c1-17-10-4-7-13-20(17)27-23(28)21-22(26-24(27)29-2)19-12-6-5-11-18(19)16-25(21)14-8-3-9-15-25/h4-7,10-13H,3,8-9,14-16H2,1-2H3
InChIKey
CMRYJALRRHKBSC-UHFFFAOYSA-N
Synonyms

2(methylthio)3(otolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2methylphenyl)2(methylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHYLPHENYL)2METHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC
InChI=1SC25H26N2OSc11710471320(17)2723(28)2122(2624(27)292)1912651118(19)1625(21)148391525h471013H3891416H212H3
MFCD01993050
ZINC000002295401
ZINC02295401
ZINC2295401

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Available files

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