Vitas-M small molecule compound
methyl 2-({5-[(E)-{[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxybenzyl}oxy)benzoate
Catalog ID
STK306808
SMILES COc1ccc(cc1COc1ccccc1C(=O)OC)/C=N/n1c(SC)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 C21H20F2N4O4S MW 462.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F2N4O4S/c1-29-16-9-8-13(11-24-27-19(18(22)23)25-26-21(27)32-3)10-14(16)12-31-17-7-5-4-6-15(17)20(28)30-2/h4-11,18H,12H2,1-3H3/b24-11+InChIKey
ZTFOCJXNUYPXFR-BHGWPJFGSA-NSynonyms
828285-08-1828285081
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COC3=CC=CC=C3C(=O)OC
COc1ccc(cc1COc1ccccc1C(=O)OC)C=Nn1c(SC)nnc1C(F)F
InChI=1SC21H20F2N4O4Sc129169813(11242719(18(22)23)252621(27)323)1014(16)123117754615(17)20(28)302h41118H12H213H3b2411+
methyl2((5((E)((3(difluoromethyl)5(methylsulfanyl)4H124triazol4yl)imino)methyl)2methoxybenzyl)oxy)benzoate
methyl2((5((E)(3(difluoromethyl)5methylsulfanyl124triazol4yl)iminomethyl)2methoxyphenyl)methoxy)benzoate
MFCD05666921
ZINC000002791931
ZINC2791930
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