Vitas-M small molecule compound
(5E)-5-(2-chlorobenzylidene)-9-(2-chlorophenyl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline
Catalog ID
STL112570
SMILES Clc1ccccc1/C=C/1\CCCC2=C1Nc1ncnn1C2c1ccccc1Cl
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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 C22H18Cl2N4 MW 409.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18Cl2N4/c23-18-10-3-1-6-14(18)12-15-7-5-9-17-20(15)27-22-25-13-26-28(22)21(17)16-8-2-4-11-19(16)24/h1-4,6,8,10-13,21H,5,7,9H2,(H,25,26,27)/b15-12+InChIKey
CQVVXEGDIXUDOK-NTCAYCPXSA-NSynonyms
(5E)5(2chlorobenzylidene)9(2chlorophenyl)456789hexahydro(124)triazolo(51b)quinazoline
(5E)9(2chlorophenyl)5((2chlorophenyl)methylidene)6789tetrahydro1H(124)triazolo(51b)quinazoline
C1CC(=CC2=CC=CC=C2Cl)C3=C(C1)C(N4C(=N3)N=CN4)C5=CC=CC=C5Cl
Clc1ccccc1C=C1CCCC2=C1Nc1ncnn1C2c1ccccc1Cl
InChI=1SC22H18Cl2N4c23181031614(18)12157591720(15)272225132628(22)21(17)168241119(16)24h1468101321H579H2(H252627)b1512+
MFCD06327611
ZINC000003207539
ZINC000003207544
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