Vitas-M small molecule compound
methyl 5-{[(1-{(E)-[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}naphthalen-2-yl)oxy]methyl}furan-2-carboxylate
Catalog ID
STK307129
SMILES COC(=O)c1ccc(o1)COc1ccc2c(c1/C=N/n1c(C)nnc1S)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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-13-23-24-21(30)25(13)22-11-17-16-6-4-3-5-14(16)7-9-18(17)28-12-15-8-10-19(29-15)20(26)27-2/h3-11H,12H2,1-2H3,(H,24,30)/b22-11+InChIKey
VXGHFFXWIZOKJD-SSDVNMTOSA-NSynonyms
828288-18-2828288182
CC1=NNC(=S)N1N=CC2=C(C=CC3=CC=CC=C32)OCC4=CC=C(O4)C(=O)OC
COC(=O)c1ccc(o1)COc1ccc2c(c1C=Nn1c(C)nnc1S)cccc2
InChI=1SC21H18N4O4Sc113232421(30)25(13)22111716643514(16)7918(17)28121581019(2915)20(26)272h311H12H212H3(H2430)b2211+
methyl5(((1((E)((3methyl5sulfanyl4H124triazol4yl)imino)methyl)naphthalen2yl)oxy)methyl)furan2carboxylate
methyl5((1((E)(3methyl5sulfanylidene1H124triazol4yl)iminomethyl)naphthalen2yl)oxymethyl)furan2carboxylate
MFCD05666936
ZINC000002792724
ZINC33797135
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