Vitas-M small molecule compound
2-chloro-5-{(4Z)-4-[(5-{4-chloro-3-[(prop-2-en-1-yloxy)carbonyl]phenyl}furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STL411905
SMILES C=CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)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 C26H18Cl2N2O6 MW 525.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18Cl2N2O6/c1-3-10-35-26(34)20-11-15(4-7-22(20)28)23-9-6-17(36-23)13-18-14(2)29-30(24(18)31)16-5-8-21(27)19(12-16)25(32)33/h3-9,11-13H,1,10H2,2H3,(H,32,33)/b18-13-InChIKey
OPQOGMOIWDWMHN-AQTBWJFISA-NSynonyms
2chloro5((4Z)4((5(4chloro3((prop2en1yloxy)carbonyl)phenyl)furan2yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
2CHLORO5((4Z)4((5(4CHLORO3PROP2ENOXYCARBONYLPHENYL)FURAN2YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
C=CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OCC=C)C4=CC(=C(C=C4)Cl)C(=O)O
InChI=1SC26H18Cl2N2O6c13103526(34)201115(4722(20)28)239617(3623)131814(2)2930(24(18)31)165821(27)19(1216)25(32)33h391113H110H22H3(H3233)b1813
MFCD01836721
ZINC000100147482
ZINC100147482
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