Vitas-M small molecule compound
(4Z)-4-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK702861
SMILES CC(CCOc1ccc(cc1)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)c1ccccc1)c1ccccc1)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 C36H32N4O2 MW 552.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N4O2/c1-26(2)22-23-42-32-20-18-28(19-21-32)34-29(25-39(37-34)30-14-8-4-9-15-30)24-33-35(27-12-6-3-7-13-27)38-40(36(33)41)31-16-10-5-11-17-31/h3-21,24-26H,22-23H2,1-2H3/b33-24-InChIKey
DOIPDCSILFWXJH-GIBOGKFOSA-NSynonyms
(4Z)4((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)25diphenyl24dihydro3Hpyrazol3one
(4Z)4((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)25DIPHENYLPYRAZOL3ONE
(E)4((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)13diphenyl1Hpyrazol5(4H)one
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
CC(CCOc1ccc(cc1)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)c1ccccc1)c1ccccc1)C
InChI=1SC36H32N4O2c126(2)22234232201828(192132)3429(2539(3734)30148491530)243335(27126371327)3840(36(33)41)3116105111731h3212426H2223H212H3b3324
MFCD03226057
ZINC000097946120
ZINC97946120
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