Vitas-M small molecule compound
ethyl 4-(3-acetyl-4-benzyl-5-{2-[(4-chlorobenzyl)oxy]phenyl}-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzoate
Catalog ID
STK511073
SMILES CCOC(=O)c1ccc(cc1)N1N=C(N(C1c1ccccc1OCc1ccc(cc1)Cl)Cc1ccccc1)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 C33H30ClN3O4 MW 568.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN3O4/c1-3-40-33(39)26-15-19-28(20-16-26)37-32(36(31(35-37)23(2)38)21-24-9-5-4-6-10-24)29-11-7-8-12-30(29)41-22-25-13-17-27(34)18-14-25/h4-20,32H,3,21-22H2,1-2H3InChIKey
HYLAJHFMONDJLS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)CC3=CC=CC=C3)C4=CC=CC=C4OCC5=CC=C(C=C5)Cl
ethyl4(3acetyl4benzyl5(2((4chlorobenzyl)oxy)phenyl)45dihydro1H124triazol1yl)benzoate
ETHYL4(5ACETYL4BENZYL3(2((4CHLOROPHENYL)METHOXY)PHENYL)3H124TRIAZOL2YL)BENZOATE
InChI=1SC33H30ClN3O4c134033(39)26151928(201626)3732(36(31(3537)23(2)38)212495461024)2911781230(29)412225131727(34)181425h42032H32122H212H3
MFCD05134689
ZINC000100384790
ZINC000100384794
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