Vitas-M small molecule compound
4,4'-[(3-ethoxy-4-hydroxy-5-iodophenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK509049
SMILES CCOc1cc(cc(c1O)I)C(c1c(=O)n(n(c1C)C)c1ccccc1)c1c(=O)n(n(c1C)C)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 C31H31IN4O4 MW 650.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31IN4O4/c1-6-40-25-18-21(17-24(32)29(25)37)28(26-19(2)33(4)35(30(26)38)22-13-9-7-10-14-22)27-20(3)34(5)36(31(27)39)23-15-11-8-12-16-23/h7-18,28,37H,6H2,1-5H3InChIKey
HFJGJNQOTVKEHF-UHFFFAOYSA-NSynonyms
4((15dimethyl3oxo2phenylpyrazol4yl)(3ethoxy4hydroxy5iodophenyl)methyl)15dimethyl2phenylpyrazol3one
44((3ethoxy4hydroxy5iodophenyl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CCOC1=C(C(=CC(=C1)C(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)I)O
InChI=1SC31H31IN4O4c1640251821(1724(32)29(25)37)28(2619(2)33(4)35(30(26)38)221397101422)2720(3)34(5)36(31(27)39)2315118121623h7182837H6H215H3
MFCD04230414
ZINC000150353970
ZINC150353970
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