Vitas-M small molecule compound
methyl 5-[(2-ethoxy-4-{(E)-[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
Catalog ID
STK307178
SMILES CCOc1cc(ccc1OCc1ccc(o1)C(=O)OC)/C=N/n1cnnc1S
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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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-3-25-16-8-12(9-20-22-11-19-21-18(22)28)4-6-14(16)26-10-13-5-7-15(27-13)17(23)24-2/h4-9,11H,3,10H2,1-2H3,(H,21,28)/b20-9+InChIKey
RHPMHYBAFHUWEM-AWQFTUOYSA-NSynonyms
828290-06-8828290068
CCOC1=C(C=CC(=C1)C=NN2C=NNC2=S)OCC3=CC=C(O3)C(=O)OC
CCOc1cc(ccc1OCc1ccc(o1)C(=O)OC)C=Nn1cnnc1S
InChI=1SC18H18N4O5Sc132516812(9202211192118(22)28)4614(16)2610135715(2713)17(23)242h4911H310H212H3(H2128)b209+
methyl5((2ethoxy4((E)((3sulfanyl4H124triazol4yl)imino)methyl)phenoxy)methyl)furan2carboxylate
methyl5((2ethoxy4((E)(5sulfanylidene1H124triazol4yl)iminomethyl)phenoxy)methyl)furan2carboxylate
MFCD04053615
ZINC000002793119
ZINC2793118
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