Vitas-M small molecule compound

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

Catalog ID
STK548922
SMILES Cc1cccc(c1)n1c(SCc2ccccc2)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 C30H28N2OS MW 464.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2OS/c1-21-10-9-14-24(18-21)32-28(33)26-27(31-29(32)34-20-22-11-3-2-4-12-22)25-15-6-5-13-23(25)19-30(26)16-7-8-17-30/h2-6,9-15,18H,7-8,16-17,19-20H2,1H3
InChIKey
DPVGQYRPDRFHIE-UHFFFAOYSA-N
Synonyms
839701-19-8
2(benzylsulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(benzylthio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2BENZYLSULFANYL3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
839701198
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6
InChI=1SC30H28N2OSc1211091424(1821)3228(33)2627(3129(32)342022113241222)2515651323(25)1930(26)16781730h2691518H7816171920H21H3
MFCD03693047
ZINC000002255097
ZINC02255097
ZINC2255097

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Available files

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