Vitas-M small molecule compound
2-{4-[bis(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)methyl]-2-ethoxyphenoxy}-N-(2-methoxyphenyl)acetamide
Catalog ID
STL368369
SMILES CCOc1cc(ccc1OCC(=O)Nc1ccccc1OC)C(c1[nH]nc(c1O)c1ccccc1)c1[nH]nc(c1O)c1ccccc1
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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 C36H33N5O6 MW 631.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33N5O6/c1-3-46-28-20-24(18-19-27(28)47-21-29(42)37-25-16-10-11-17-26(25)45-2)30(33-35(43)31(38-40-33)22-12-6-4-7-13-22)34-36(44)32(39-41-34)23-14-8-5-9-15-23/h4-20,30,43-44H,3,21H2,1-2H3,(H,37,42)(H,38,40)(H,39,41)InChIKey
TYRXROAEIGOMPU-UHFFFAOYSA-NSynonyms
2(4(bis(4hydroxy3phenyl1Hpyrazol5yl)methyl)2ethoxyphenoxy)N(2methoxyphenyl)acetamide
CCOC1=C(C=CC(=C1)C(C2=C(C(=NN2)C3=CC=CC=C3)O)C4=C(C(=NN4)C5=CC=CC=C5)O)OCC(=O)NC6=CC=CC=C6OC
CCOc1cc(ccc1OCC(=O)Nc1ccccc1OC)C(c1(nH)nc(c1O)c1ccccc1)c1(nH)nc(c1O)c1ccccc1
InChI=1SC36H33N5O6c1346282024(181927(28)472129(42)37251610111726(25)452)30(3335(43)31(384033)22126471322)3436(44)32(394134)23148591523h420304344H321H212H3(H3742)(H3840)(H3941)
MFCD06124476
ZINC000100391451
ZINC100391451
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