Vitas-M small molecule compound

2-(ethylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK832806
SMILES CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3

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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 C25H26N2O2S MW 418.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O2S/c1-3-30-24-26-22-20-9-5-4-8-17(20)16-25(14-6-7-15-25)21(22)23(28)27(24)18-10-12-19(29-2)13-11-18/h4-5,8-13H,3,6-7,14-16H2,1-2H3
InChIKey
FDDIQTJFBGCJGF-UHFFFAOYSA-N
Synonyms
330180-92-2
2(ethylsulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(ETHYLSULFANYL)3(4METHOXYPHENYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
2(ethylthio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2ETHYLSULFANYL3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
2ETHYLTHIO3(4METHOXYPHENYL)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
330180922
CCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC25H26N2O2Sc133024262220954817(20)1625(14671525)21(22)23(28)27(24)18101219(292)131118h45813H3671416H212H3
MFCD01175008
ZINC000001755164
ZINC01755164
ZINC1755164

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.