Vitas-M small molecule compound
(2E)-4-[5'-(4-fluorophenyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrazol]-2'(4'H)-yl]-4-oxobut-2-enoic acid
Catalog ID
STK601777
SMILES OC(=O)/C=C/C(=O)N1N=C(CC21C(=O)Nc1c2cccc1)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 C20H14FN3O4 MW 379.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14FN3O4/c21-13-7-5-12(6-8-13)16-11-20(24(23-16)17(25)9-10-18(26)27)14-3-1-2-4-15(14)22-19(20)28/h1-10H,11H2,(H,22,28)(H,26,27)/b10-9+InChIKey
FIJMFUMTUXIIBD-MDZDMXLPSA-NSynonyms
929813-99-0(2E)4(5(4fluorophenyl)2oxo12dihydrospiro(indole33pyrazol)2(4H)yl)4oxobut2enoicacid
(E)4(3(4fluorophenyl)2oxospiro(1Hindole354Hpyrazole)1yl)4oxobut2enoicacid
(E)4(5(4fluorophenyl)2oxospiro(indoline33pyrazol)2(4H)yl)4oxobut2enoicacid
929813990
C1C(=NN(C12C3=CC=CC=C3NC2=O)C(=O)C=CC(=O)O)C4=CC=C(C=C4)F
InChI=1SC20H14FN3O4c21137512(6813)161120(24(2316)17(25)91018(26)27)14312415(14)2219(20)28h110H11H2(H2228)(H2627)b109+
MFCD08744457
OC(=O)C=CC(=O)N1N=C(CC21C(=O)Nc1c2cccc1)c1ccc(cc1)F
ZINC000013624411
ZINC000013624413
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