Vitas-M small molecule compound
diethyl 1-{2-[3-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL175907
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C(CC1c1ccc(cc1)OC)c1cc(C)ccc1C
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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 C28H31N5O6 MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O6/c1-6-38-27(35)25-26(28(36)39-7-2)32(31-29-25)16-24(34)33-23(19-10-12-20(37-5)13-11-19)15-22(30-33)21-14-17(3)8-9-18(21)4/h8-14,23H,6-7,15-16H2,1-5H3InChIKey
VFMAXEOFVOYTEU-UHFFFAOYSA-NSynonyms
438228-58-1438228581
CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(CC(=N2)C3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)OC)C(=O)OCC
diethyl1(2(3(25dimethylphenyl)5(4methoxyphenyl)45dihydro1Hpyrazol1yl)2oxoethyl)1H123triazole45dicarboxylate
DIETHYL1(2(5(25DIMETHYLPHENYL)3(4METHOXYPHENYL)34DIHYDROPYRAZOL2YL)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
InChI=1SC28H31N5O6c163827(35)2526(28(36)3972)32(312925)1624(34)3323(19101220(375)131119)1522(3033)211417(3)8918(21)4h81423H671516H215H3
MFCD03466713
ZINC000000651264
ZINC000000651266
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