Vitas-M small molecule compound
methyl 2-({(1Z)-1-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Catalog ID
STK741976
SMILES COC(=O)c1ccccc1N/C(=C\1/C(=NN(C1=O)c1ccc(cc1)F)C)/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 C20H18FN3O3 MW 367.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O3/c1-12(22-17-7-5-4-6-16(17)20(26)27-3)18-13(2)23-24(19(18)25)15-10-8-14(21)9-11-15/h4-11,22H,1-3H3/b18-12-InChIKey
FPKDXDRKQXJCQR-PDGQHHTCSA-NSynonyms
(Z)methyl2((1(1(4fluorophenyl)3methyl5oxo1Hpyrazol4(5H)ylidene)ethyl)amino)benzoate
CC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)F
COC(=O)c1ccccc1NC(=C1C(=NN(C1=O)c1ccc(cc1)F)C)C
InChI=1SC20H18FN3O3c112(2217754616(17)20(26)273)1813(2)2324(19(18)25)1510814(21)91115h41122H13H3b1812
METHYL2(((1(4FLUOROPHENYL)3METHYL5OXO12DIAZOLIN4YLIDENE)ETHYL)AMINO)BENZOATE
methyl2(((1Z)1(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)ethyl)amino)benzoate
methyl2(((1Z)1(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)ethyl)amino)benzoate
MFCD08548239
ZINC000100423116
ZINC100423116
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