Vitas-M small molecule compound
{2-[(E)-{[3-(5-methyl-1H-pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetic acid
Catalog ID
STK568367
SMILES OC(=O)COc1ccccc1/C=N/n1c(=S)[nH]nc1c1n[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 C15H14N6O3S MW 358.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N6O3S/c1-9-6-11(18-17-9)14-19-20-15(25)21(14)16-7-10-4-2-3-5-12(10)24-8-13(22)23/h2-7H,8H2,1H3,(H,17,18)(H,20,25)(H,22,23)/b16-7+InChIKey
VLIWVVDZZHEIKY-FRKPEAEDSA-NSynonyms
1046120-30-2(2((E)((3(5methyl1Hpyrazol3yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)phenoxy)aceticacid
1046120302
2(2((E)(3(5METHYL1HPYRAZOL3YL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENOXY)ACETICACID
CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC=CC=C3OCC(=O)O
InChI=1SC15H14N6O3Sc19611(18179)14192015(25)21(14)16710423512(10)24813(22)23h27H8H21H3(H1718)(H2025)(H2223)b167+
MFCD05728749
OC(=O)COc1ccccc1C=Nn1c(=S)(nH)nc1c1n(nH)c(c1)C
ZINC000005886231
ZINC33345104
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