Vitas-M small molecule compound
4-{(Z)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Catalog ID
STK667374
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(cc1)OC(=O)c1cccs1)c1ccc(c(c1)Cl)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 C22H14Cl2N2O3S MW 457.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2N2O3S/c1-13-17(21(27)26(25-13)15-6-9-18(23)19(24)12-15)11-14-4-7-16(8-5-14)29-22(28)20-3-2-10-30-20/h2-12H,1H3/b17-11-InChIKey
GRYIGAVGJLMOMY-BOPFTXTBSA-NSynonyms
(4((Z)(1(34dichlorophenyl)3methyl5oxopyrazol4ylidene)methyl)phenyl)thiophene2carboxylate
4((Z)(1(34dichlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)phenylthiophene2carboxylate
CC1=NN(C(=O)C1=Cc1ccc(cc1)OC(=O)c1cccs1)c1ccc(c(c1)Cl)Cl
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC(=O)C3=CC=CS3)C4=CC(=C(C=C4)Cl)Cl
InChI=1SC22H14Cl2N2O3Sc11317(21(27)26(2513)156918(23)19(24)1215)11144716(8514)2922(28)2032103020h212H1H3b1711
MFCD18169424
ZINC000012412744
ZINC12412744
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