Vitas-M small molecule compound

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

Catalog ID
STK038007
SMILES CCn1c(SCCc2ccccc2)nc2c(c1=O)C1(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 C26H28N2OS MW 416.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2OS/c1-2-28-24(29)22-23(27-25(28)30-17-14-19-10-4-3-5-11-19)21-13-7-6-12-20(21)18-26(22)15-8-9-16-26/h3-7,10-13H,2,8-9,14-18H2,1H3
InChIKey
GWUZTCPCMMBEFB-UHFFFAOYSA-N
Synonyms
337494-97-0
337494970
3ETHYL2((2PHENYLETHYL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
3ethyl2(2phenylethylsulfanyl)spiro(6Hbenzo(h)quinazoline51cyclopentane)4one
3ETHYL2(2PHENYLETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3ethyl2(phenethylthio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3ETHYL2PHENETHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC5=CC=CC=C5
CCn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
InChI=1SC26H28N2OSc122824(29)2223(2725(28)30171419104351119)2113761220(21)1826(22)15891626h371013H2891418H21H3
MFCD01556689
STK038007
ZINC000002346626
ZINC02346626
ZINC2346626

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Available files

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