Vitas-M small molecule compound

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

Catalog ID
STK551846
SMILES CCCn1c(SCC)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 C21H26N2OS MW 354.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2OS/c1-3-13-23-19(24)17-18(22-20(23)25-4-2)16-10-6-5-9-15(16)14-21(17)11-7-8-12-21/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3
InChIKey
PZFMRLGZFPUFIZ-UHFFFAOYSA-N
Synonyms
799786-86-0
2(ethylsulfanyl)3propyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(ethylthio)3propyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2ETHYLSULFANYL3PROPYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
799786860
CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC
InChI=1SC21H26N2OSc13132319(24)1718(2220(23)2542)161065915(16)1421(17)11781221h56910H34781114H212H3
MFCD03675728
ZINC000002214358
ZINC02214358
ZINC2214358

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Available files

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