Vitas-M small molecule compound
1-[5-{2-[(2-chlorobenzyl)oxy]phenyl}-4-[3-chloro-4-(morpholin-4-yl)phenyl]-1-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Catalog ID
STK510726
SMILES Cc1ccc(cc1)N1N=C(N(C1c1ccccc1OCc1ccccc1Cl)c1ccc(c(c1)Cl)N1CCOCC1)C(=O)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 C34H32Cl2N4O3 MW 615.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32Cl2N4O3/c1-23-11-13-26(14-12-23)40-34(28-8-4-6-10-32(28)43-22-25-7-3-5-9-29(25)35)39(33(37-40)24(2)41)27-15-16-31(30(36)21-27)38-17-19-42-20-18-38/h3-16,21,34H,17-20,22H2,1-2H3InChIKey
BABZYJAWHZHAHU-UHFFFAOYSA-NSynonyms
1(4(3CHLORO4MORPHOLIN4YLPHENYL)3(2((2CHLOROPHENYL)METHOXY)PHENYL)2(4METHYLPHENYL)3H124TRIAZOL5YL)ETHANONE
1(5(2((2chlorobenzyl)oxy)phenyl)4(3chloro4(morpholin4yl)phenyl)1(4methylphenyl)45dihydro1H124triazol3yl)ethanone
CC1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)C3=CC(=C(C=C3)N4CCOCC4)Cl)C5=CC=CC=C5OCC6=CC=CC=C6Cl
InChI=1SC34H32Cl2N4O3c123111326(141223)4034(288461032(28)432225735929(25)35)39(33(3740)24(2)41)27151631(30(36)2127)38171942201838h3162134H172022H212H3
MFCD02623371
ZINC000100383930
ZINC000100383933
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