Vitas-M small molecule compound
4-chloro-3-{5-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK168108
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccccc1)C)Cl
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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 C22H15ClN2O4 MW 406.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O4/c1-13-17(21(26)25(24-13)15-5-3-2-4-6-15)12-16-8-10-20(29-16)18-11-14(22(27)28)7-9-19(18)23/h2-12H,1H3,(H,27,28)/b17-12-InChIKey
JVONPAIHJBUCCZ-ATVHPVEESA-NSynonyms
(E)4chloro3(5((3methyl5oxo1phenyl1Hpyrazol4(5H)ylidene)methyl)furan2yl)benzoicacid
4CHLORO3(5((Z)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5((Z)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)C4=CC=CC=C4
InChI=1SC22H15ClN2O4c11317(21(26)25(2413)155324615)121681020(2916)181114(22(27)28)7919(18)23h212H1H3(H2728)b1712
MFCD02193887
OC(=O)c1ccc(c(c1)c1ccc(o1)C=C1C(=NN(C1=O)c1ccccc1)C)Cl
ZINC000013801333
ZINC13801333
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