Vitas-M small molecule compound

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

Catalog ID
STK549104
SMILES COc1ccc(cc1)n1c(SCc2ccccc2C)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 C31H30N2O2S MW 494.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O2S/c1-21-9-3-4-11-23(21)20-36-30-32-28-26-12-6-5-10-22(26)19-31(17-7-8-18-31)27(28)29(34)33(30)24-13-15-25(35-2)16-14-24/h3-6,9-16H,7-8,17-20H2,1-2H3
InChIKey
SWEUAONIFIWSSR-UHFFFAOYSA-N
Synonyms
835911-62-1
3(4methoxyphenyl)2((2methylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4methoxyphenyl)2((2methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4METHOXYPHENYL)2((2METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
835911621
CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC31H30N2O2Sc1219341123(21)20363032282612651022(26)1931(17781831)27(28)29(34)33(30)24131525(352)161424h36916H781720H212H3
MFCD03687496
ZINC000002249772
ZINC02249772
ZINC2249772

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Available files

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