Vitas-M small molecule compound
5-[(E)-{[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxybenzyl acetate
Catalog ID
STK307172
SMILES COc1ccc(cc1COC(=O)C)/C=N/n1c(S)nnc1C(F)F
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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 C14H14F2N4O3S MW 356.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14F2N4O3S/c1-8(21)23-7-10-5-9(3-4-11(10)22-2)6-17-20-13(12(15)16)18-19-14(20)24/h3-6,12H,7H2,1-2H3,(H,19,24)/b17-6+InChIKey
LNFWVGLDFZDPNJ-UBKPWBPPSA-NSynonyms
828288-61-5(5((E)(3(difluoromethyl)5sulfanylidene1H124triazol4yl)iminomethyl)2methoxyphenyl)methylacetate
5((E)((3(difluoromethyl)5sulfanyl4H124triazol4yl)imino)methyl)2methoxybenzylacetate
828288615
CC(=O)OCC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C(F)F)OC
COc1ccc(cc1COC(=O)C)C=Nn1c(S)nnc1C(F)F
InChI=1SC14H14F2N4O3Sc18(21)2371059(3411(10)222)6172013(12(15)16)181914(20)24h3612H7H212H3(H1924)b176+
MFCD06195385
ZINC000002793107
ZINC2793106
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