Vitas-M small molecule compound
4-{(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Catalog ID
STK743846
SMILES Ic1ccc(cc1)N1N=C(/C(=C/c2ccc(cc2)OC(=O)c2cccs2)/C1=O)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 C22H15IN2O3S MW 514.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15IN2O3S/c1-14-19(21(26)25(24-14)17-8-6-16(23)7-9-17)13-15-4-10-18(11-5-15)28-22(27)20-3-2-12-29-20/h2-13H,1H3/b19-13-InChIKey
LJRBVEOFVKYMQE-UYRXBGFRSA-NSynonyms
(4((Z)(1(4iodophenyl)3methyl5oxopyrazol4ylidene)methyl)phenyl)thiophene2carboxylate
4((Z)(1(4iodophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)phenylthiophene2carboxylate
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC(=O)C3=CC=CS3)C4=CC=C(C=C4)I
Ic1ccc(cc1)N1N=C(C(=Cc2ccc(cc2)OC(=O)c2cccs2)C1=O)C
InChI=1SC22H15IN2O3Sc11419(21(26)25(2414)178616(23)7917)131541018(11515)2822(27)2032122920h213H1H3b1913
MFCD13371943
ZINC000012412748
ZINC12412748
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