Vitas-M small molecule compound
(8E)-8-benzylidene-6-tert-butyl-4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
Catalog ID
STK993752
SMILES S=C1NC(c2ccccc2)C2=C(N1)/C(=C/c1ccccc1)/CC(C2)C(C)(C)C
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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 C25H28N2S MW 388.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2S/c1-25(2,3)20-15-19(14-17-10-6-4-7-11-17)23-21(16-20)22(26-24(28)27-23)18-12-8-5-9-13-18/h4-14,20,22H,15-16H2,1-3H3,(H2,26,27,28)/b19-14+InChIKey
FYALKTBMCAUHTR-XMHGGMMESA-NSynonyms
(8E)8benzylidene6tertbutyl4phenyl134567hexahydroquinazoline2thione
(8E)8benzylidene6tertbutyl4phenyl345678hexahydroquinazoline2(1H)thione
CC(C)(C)C1CC(=CC2=CC=CC=C2)C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4
InChI=1SC25H28N2Sc125(23)201519(1417106471117)2321(1620)22(2624(28)2723)18128591318h4142022H1516H213H3(H2262728)b1914+
MFCD18185007
S=C1NC(c2ccccc2)C2=C(N1)C(=Cc1ccccc1)CC(C2)C(C)(C)C
ZINC000057374821
ZINC000057374828
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