Vitas-M small molecule compound
2-chloro-5-[(4Z)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK524008
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1cc(C)c(cc1[N+](=O)[O-])C)c1ccc(c(c1)C(=O)O)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 C24H18ClN3O6 MW 479.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O6/c1-12-8-19(21(28(32)33)9-13(12)2)22-7-5-16(34-22)11-17-14(3)26-27(23(17)29)15-4-6-20(25)18(10-15)24(30)31/h4-11H,1-3H3,(H,30,31)/b17-11-InChIKey
YQCOIEHDHIINKB-BOPFTXTBSA-NSynonyms
2chloro5((4Z)4((5(45dimethyl2nitrophenyl)furan2yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
2CHLORO5((4Z)4((5(45DIMETHYL2NITROPHENYL)FURAN2YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
CC1=C(C=C(C(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC(=C(C=C4)Cl)C(=O)O)C)(N+)(=O)(O))C
CC1=NN(C(=O)C1=Cc1ccc(o1)c1cc(C)c(cc1(N+)(=O)(O))C)c1ccc(c(c1)C(=O)O)Cl
InChI=1SC24H18ClN3O6c112819(21(28(32)33)913(12)2)227516(3422)111714(3)2627(23(17)29)154620(25)18(1015)24(30)31h411H13H3(H3031)b1711
MFCD01784782
ZINC000012445181
ZINC12445181
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