Vitas-M small molecule compound
methyl 5-[({1-[(E)-{[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]naphthalen-2-yl}oxy)methyl]furan-2-carboxylate
Catalog ID
STK306885
SMILES COC(=O)c1ccc(o1)COc1ccc2c(c1/C=N/n1c(S)nnc1C(F)F)cccc2
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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 C21H16F2N4O4S MW 458.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F2N4O4S/c1-29-20(28)17-9-7-13(31-17)11-30-16-8-6-12-4-2-3-5-14(12)15(16)10-24-27-19(18(22)23)25-26-21(27)32/h2-10,18H,11H2,1H3,(H,26,32)/b24-10+InChIKey
IOTLJMRAGPAMLU-YSURURNPSA-NSynonyms
828285-74-1828285741
COC(=O)C1=CC=C(O1)COC2=C(C3=CC=CC=C3C=C2)C=NN4C(=NNC4=S)C(F)F
COC(=O)c1ccc(o1)COc1ccc2c(c1C=Nn1c(S)nnc1C(F)F)cccc2
InChI=1SC21H16F2N4O4Sc12920(28)179713(3117)1130168612423514(12)15(16)10242719(18(22)23)252621(27)32h21018H11H21H3(H2632)b2410+
methyl5(((1((E)((3(difluoromethyl)5sulfanyl4H124triazol4yl)imino)methyl)naphthalen2yl)oxy)methyl)furan2carboxylate
methyl5((1((E)(3(difluoromethyl)5sulfanylidene1H124triazol4yl)iminomethyl)naphthalen2yl)oxymethyl)furan2carboxylate
MFCD04047902
ZINC000002792101
ZINC33803628
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