Vitas-M small molecule compound
4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL053733
SMILES COc1ccccc1/C=C/C=N/n1c(S)nnc1c1n[nH]c(c1)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 C16H16N6OS MW 340.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6OS/c1-11-10-13(19-18-11)15-20-21-16(24)22(15)17-9-5-7-12-6-3-4-8-14(12)23-2/h3-10H,1-2H3,(H,18,19)(H,21,24)/b7-5+,17-9+InChIKey
HMGGNGFWZMVINS-VZGLCWHJSA-NSynonyms
850901-97-24(((1E2E)3(2methoxyphenyl)prop2en1ylidene)amino)5(5methyl1Hpyrazol3yl)4H124triazole3thiol
4((1E3E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)5(3METHYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)((E)3(2methoxyphenyl)allylidene)amino)5(3methyl1Hpyrazol5yl)4H124triazole3thiol
4((E)((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)AMINO)3(5METHYL1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
4((E)3(2METHOXYPHENYL)PROP2EN(E)YLIDENEAMINO)5(5METHYL2HPYRAZOL3YL)4H(124)TRIAZOLE3THIOL
850901972
CC1=CC(=NN1)C2=NNC(=S)N2N=CC=CC3=CC=CC=C3OC
COc1ccccc1C=CC=Nn1c(S)nnc1c1(nH)nc(c1)C
COc1ccccc1C=CC=Nn1c(S)nnc1c1n(nH)c(c1)C
InChI=1SC16H16N6OSc1111013(191811)15202116(24)22(15)1795712634814(12)232h310H12H3(H1819)(H2124)b75+179+
MFCD05731039
ZINC000008684634
ZINC15974330
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.