Vitas-M small molecule compound

methyl 4-(2-sulfanyl-3,4,5,6-tetrahydrobenzo[h]quinazolin-4-yl)benzoate

Catalog ID
STK573031
SMILES COC(=O)c1ccc(cc1)C1NC(=NC2=C1CCc1c2cccc1)S

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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 C20H18N2O2S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O2S/c1-24-19(23)14-8-6-13(7-9-14)17-16-11-10-12-4-2-3-5-15(12)18(16)22-20(25)21-17/h2-9,17H,10-11H2,1H3,(H2,21,22,25)
InChIKey
FWOCWEWEJDKWGL-UHFFFAOYSA-N
Synonyms
727655-09-6
727655096
COC(=O)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2
InChI=1SC20H18N2O2Sc12419(23)148613(7914)1716111012423515(12)18(16)2220(25)2117h2917H1011H21H3(H2212225)
methyl4(2sulfanyl3456tetrahydrobenzo(h)quinazolin4yl)benzoate
methyl4(2sulfanylidene3456tetrahydro1Hbenzo(h)quinazolin4yl)benzoate
MFCD03798032
ZINC000008970057
ZINC000017027471
ZINC01407526
ZINC01407527

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Available files

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