Vitas-M small molecule compound

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

Catalog ID
STK525589
SMILES O=c1n(CCc2ccccc2)c(SCCc2ccccc2)nc2c1C1(CCCC1)Cc1c2cccc1

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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 C32H32N2OS MW 492.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2OS/c35-30-28-29(27-16-8-7-15-26(27)23-32(28)19-9-10-20-32)33-31(36-22-18-25-13-5-2-6-14-25)34(30)21-17-24-11-3-1-4-12-24/h1-8,11-16H,9-10,17-23H2
InChIKey
URRBOTBQKHAAQC-UHFFFAOYSA-N
Synonyms
316360-07-3
3(2phenylethyl)2((2phenylethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(2phenylethyl)2(2phenylethylsulfanyl)spiro(6Hbenzo(h)quinazoline51cyclopentane)4one
316360073
3phenethyl2(phenethylthio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3PHENETHYL2PHENETHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)CCC6=CC=CC=C6
InChI=1SC32H32N2OSc35302829(2716871526(27)2332(28)199102032)3331(36221825135261425)34(30)211724113141224h181116H9101723H2
MFCD01175106
ZINC000002362109
ZINC02362109
ZINC2362109

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Available files

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