Vitas-M small molecule compound
(8Z)-2-bromo-8-(2-chlorobenzylidene)-4-(2-chlorophenyl)-2-(prop-2-en-1-ylsulfanyl)-1,2,3,4,5,6,7,8-octahydroquinazoline
Catalog ID
STK379892
SMILES C=CCSC1(Br)NC2=C(C(N1)c1ccccc1Cl)CCC/C/2=C/c1ccccc1Cl
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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 C24H23BrCl2N2S MW 522.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrCl2N2S/c1-2-14-30-24(25)28-22-17(15-16-8-3-5-12-20(16)26)9-7-11-19(22)23(29-24)18-10-4-6-13-21(18)27/h2-6,8,10,12-13,15,23,28-29H,1,7,9,11,14H2/b17-15-InChIKey
BHDNWSOAPPDKCV-ICFOKQHNSA-NSynonyms
(8Z)2bromo4(2chlorophenyl)8((2chlorophenyl)methylidene)2prop2enylsulfanyl134567hexahydroquinazoline
(8Z)2bromo8(2chlorobenzylidene)4(2chlorophenyl)2(prop2en1ylsulfanyl)12345678octahydroquinazoline
C=CCSC1(Br)NC2=C(C(N1)c1ccccc1Cl)CCCC2=Cc1ccccc1Cl
C=CCSC1(NC(C2=C(N1)C(=CC3=CC=CC=C3Cl)CCC2)C4=CC=CC=C4Cl)Br
InChI=1SC24H23BrCl2N2Sc12143024(25)282217(15168351220(16)26)971119(22)23(2924)1810461321(18)27h26810121315232829H1791114H2b1715
MFCD01871879
ZINC000100389468
ZINC000101320968
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