Vitas-M small molecule compound

methyl [(4Z)-1-(4-fluorophenyl)-5-oxo-4-(1-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate

Catalog ID
STK234812
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\Nc1ccc(cc1)Cn1cncn1)/C)c1ccc(cc1)F

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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 C23H21FN6O3 MW 448.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN6O3/c1-15(27-18-7-3-16(4-8-18)12-29-14-25-13-26-29)22-20(11-21(31)33-2)28-30(23(22)32)19-9-5-17(24)6-10-19/h3-10,13-14,27H,11-12H2,1-2H3/b22-15-
InChIKey
JHDFRZWGNWXOMQ-JCMHNJIXSA-N
Synonyms

CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)F)CC(=O)OC)NC3=CC=C(C=C3)CN4C=NC=N4
COC(=O)CC1=NN(C(=O)C1=C(Nc1ccc(cc1)Cn1cncn1)C)c1ccc(cc1)F
InChI=1SC23H21FN6O3c115(27187316(4818)12291425132629)2220(1121(31)332)2830(23(22)32)199517(24)61019h310131427H1112H212H3b2215
methyl((4Z)1(4fluorophenyl)5oxo4(1((4(1H124triazol1ylmethyl)phenyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(4FLUOROPHENYL)5OXO4(1(4(124TRIAZOL1YLMETHYL)ANILINO)ETHYLIDENE)PYRAZOL3YL)ACETATE
METHYL2(1(4FLUOROPHENYL)5OXO4(((4(124TRIAZOLYLMETHYL)PHENYL)AMINO)ETHYLIDENE)12DIAZOLIN3YL)ACETATE
MFCD08086053
ZINC000009189869
ZINC09189869
ZINC9189869

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Available files

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