Vitas-M small molecule compound
diethyl 5,5'-(sulfanediyldimethanediyl)bis[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate]
Catalog ID
STK769528
SMILES CCOC(=O)c1nnn(c1CSCc1c(nnn1c1nonc1N)C(=O)OCC)c1nonc1N
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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 C16H18N12O6S MW 506.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N12O6S/c1-3-31-15(29)9-7(27(25-19-9)13-11(17)21-33-23-13)5-35-6-8-10(16(30)32-4-2)20-26-28(8)14-12(18)22-34-24-14/h3-6H2,1-2H3,(H2,17,21)(H2,18,22)InChIKey
STMNMEXRGNBIPC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSCC3=C(N=NN3C4=NON=C4N)C(=O)OCC
diethyl55(sulfanediyldimethanediyl)bis(1(4amino125oxadiazol3yl)1H123triazole4carboxylate)
ETHYL1(4AMINO(125OXADIAZOL3YL))5(((1(4AMINO(125OXADIAZOL3YL))4(ETHOXYCARBONYL)(123TRIAZOL5YL))METHYLTHIO)METHYL)123TRIAZOLE4CARBOXYLATE
ETHYL1(4AMINO125OXADIAZOL3YL)5((3(4AMINO125OXADIAZOL3YL)5ETHOXYCARBONYLTRIAZOL4YL)METHYLSULFANYLMETHYL)TRIAZOLE4CARBOXYLATE
InChI=1SC16H18N12O6Sc133115(29)97(27(25199)1311(17)21332313)5356810(16(30)3242)202628(8)1412(18)22342414h36H212H3(H21721)(H21822)
MFCD03409272
ZINC000008856585
ZINC08856585
ZINC8856585
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