Vitas-M small molecule compound

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

Catalog ID
STK550408
SMILES Cc1cccc(c1)n1c(SCc2ccc(cc2)C)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 C31H30N2OS MW 478.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2OS/c1-21-12-14-23(15-13-21)20-35-30-32-28-26-11-4-3-9-24(26)19-31(16-5-6-17-31)27(28)29(34)33(30)25-10-7-8-22(2)18-25/h3-4,7-15,18H,5-6,16-17,19-20H2,1-2H3
InChIKey
LEFVFQWFYMOBAG-UHFFFAOYSA-N
Synonyms
836644-82-7
2((4methylbenzyl)sulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((4methylbenzyl)thio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3METHYLPHENYL)2((4METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
836644827
CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC=CC(=C4)C)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC31H30N2OSc121121423(151321)2035303228261143924(26)1931(16561731)27(28)29(34)33(30)25107822(2)1825h3471518H5616171920H212H3
MFCD03691377
ZINC000002253078
ZINC02253078
ZINC2253078

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Available files

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