Vitas-M small molecule compound
methyl 4-[(E)-{[3-(5-phenyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STK569288
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1
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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 C20H16N6O2S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O2S/c1-28-19(27)15-9-7-13(8-10-15)12-21-26-18(24-25-20(26)29)17-11-16(22-23-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,25,29)/b21-12+InChIKey
WEPOQPXJMXUXIW-CIAFOILYSA-NSynonyms
716334-95-1(E)methyl4(((3mercapto5(3phenyl1Hpyrazol5yl)4H124triazol4yl)imino)methyl)benzoate
716334951
COC(=O)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
COC(=O)c1ccc(cc1)C=Nn1c(S)nnc1c1(nH)nc(c1)c1ccccc1
COC(=O)c1ccc(cc1)C=Nn1c(S)nnc1c1n(nH)c(c1)c1ccccc1
InChI=1SC20H16N6O2Sc12819(27)159713(81015)12212618(242520(26)29)171116(222317)145324614h212H1H3(H2223)(H2529)b2112+
METHYL4((1E)2(5(3PHENYLPYRAZOL5YL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOATE
methyl4((E)((3(5phenyl1Hpyrazol3yl)5sulfanyl4H124triazol4yl)imino)methyl)benzoate
METHYL4((E)(3(3PHENYL1HPYRAZOL5YL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD05738438
ZINC000005625581
ZINC01279459
ZINC1279459
Check stock
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Check stock on Vitas-MAvailable files
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