Vitas-M small molecule compound
phenyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate
Catalog ID
STK728278
SMILES O=C(c1ccc(cc1)Cn1c(nnc1c1ccccc1)c1ccccc1)Oc1ccccc1
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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 C28H21N3O2 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O2/c32-28(33-25-14-8-3-9-15-25)24-18-16-21(17-19-24)20-31-26(22-10-4-1-5-11-22)29-30-27(31)23-12-6-2-7-13-23/h1-19H,20H2InChIKey
SPPTYCRPSBBPTL-UHFFFAOYSA-NSynonyms
C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=C(C=C3)C(=O)OC4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC28H21N3O2c3228(3325148391525)24181621(171924)203126(22104151122)293027(31)23126271323h119H20H2
MFCD05102527
PHENYL4((35DIPHENYL124TRIAZOL4YL)METHYL)BENZOATE
phenyl4((35diphenyl4H124triazol4yl)methyl)benzoate
ZINC000008384164
ZINC08384164
ZINC8384164
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