Vitas-M small molecule compound
1-[1-(4-chlorophenyl)-5-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxyphenyl}-4-(4-methoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Catalog ID
STK675587
SMILES COc1ccc(cc1)N1C(=NN(C1c1ccc(c(c1)OC)OCc1c(Cl)cccc1Cl)c1ccc(cc1)Cl)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 C31H26Cl3N3O4 MW 610.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26Cl3N3O4/c1-19(38)30-35-37(23-10-8-21(32)9-11-23)31(36(30)22-12-14-24(39-2)15-13-22)20-7-16-28(29(17-20)40-3)41-18-25-26(33)5-4-6-27(25)34/h4-17,31H,18H2,1-3H3InChIKey
WUJRHEZBMKZOAF-UHFFFAOYSA-NSynonyms
1(1(4chlorophenyl)5(4((26dichlorobenzyl)oxy)3methoxyphenyl)4(4methoxyphenyl)45dihydro1H124triazol3yl)ethanone
1(2(4CHLOROPHENYL)3(4((26DICHLOROPHENYL)METHOXY)3METHOXYPHENYL)4(4METHOXYPHENYL)3H124TRIAZOL5YL)ETHANONE
CC(=O)C1=NN(C(N1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)OC)C5=CC=C(C=C5)Cl
InChI=1SC31H26Cl3N3O4c119(38)303537(2310821(32)91123)31(36(30)22121424(392)151322)2071628(29(1720)403)41182526(33)54627(25)34h41731H18H213H3
MFCD01819518
ZINC000008425573
ZINC000008425574
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