Vitas-M small molecule compound
(8E)-8-benzylidene-4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
Catalog ID
STK993157
SMILES S=C1NC(c2ccccc2)C2=C(N1)/C(=C/c1ccccc1)/CCC2
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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 C21H20N2S MW 332.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2S/c24-21-22-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)23-21)14-15-8-3-1-4-9-15/h1-6,8-11,14,19H,7,12-13H2,(H2,22,23,24)/b17-14+InChIKey
OIWFTKSWHDPJCN-SAPNQHFASA-NSynonyms
65331-27-3(8E)8benzylidene4phenyl134567hexahydroquinazoline2thione
(8E)8benzylidene4phenyl345678hexahydroquinazoline2(1H)thione
(E)8benzylidene4phenyl345678hexahydroquinazoline2(1H)thione
65331273
C1CC(=CC2=CC=CC=C2)C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4
InChI=1SC21H20N2Sc24212219(16105261116)181371217(20(18)2321)14158314915h168111419H71213H2(H2222324)b1714+
MFCD00564697
S=C1NC(c2ccccc2)C2=C(N1)C(=Cc1ccccc1)CCC2
ZINC000008691602
ZINC000018203810
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