Vitas-M small molecule compound

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

Catalog ID
STK543947
SMILES CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)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 C28H32N2O2S MW 460.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O2S/c1-3-4-9-17-33-27-29-25-23-14-6-5-11-20(23)19-28(15-7-8-16-28)24(25)26(31)30(27)21-12-10-13-22(18-21)32-2/h5-6,10-14,18H,3-4,7-9,15-17,19H2,1-2H3
InChIKey
XVYNCXMEURJPRB-UHFFFAOYSA-N
Synonyms
489399-89-5
3(3methoxyphenyl)2(pentylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3methoxyphenyl)2(pentylthio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3METHOXYPHENYL)2PENTYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
489399895
CCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2O2Sc134917332729252314651120(23)1928(15781628)24(25)26(31)30(27)2112101322(1821)322h56101418H3479151719H212H3
MFCD03295801
ZINC000001867266
ZINC01867266
ZINC1867266

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Available files

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