Vitas-M small molecule compound
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK758949
SMILES CCOc1ccc2c(c1)sc(n2)SCc1c(nnn1c1nonc1N)C(=O)OCC
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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 C17H17N7O4S2 MW 447.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O4S2/c1-3-26-9-5-6-10-12(7-9)30-17(19-10)29-8-11-13(16(25)27-4-2)20-23-24(11)15-14(18)21-28-22-15/h5-7H,3-4,8H2,1-2H3,(H2,18,21)InChIKey
OEEGQOJGFOZLIE-UHFFFAOYSA-NSynonyms
312499-48-2312499482
CCOC1=CC2=C(C=C1)N=C(S2)SCC3=C(N=NN3C4=NON=C4N)C(=O)OCC
ETHYL1(4AMINO(125OXADIAZOL3YL))5((6ETHOXYBENZOTHIAZOL2YLTHIO)METHYL)123TRIAZOLE4CARBOXYLATE
ETHYL1(4AMINO125OXADIAZOL3YL)5(((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)METHYL)123TRIAZOLE4CARBOXYLATE
ethyl1(4amino125oxadiazol3yl)5(((6ethoxy13benzothiazol2yl)sulfanyl)methyl)1H123triazole4carboxylate
ETHYL1(4AMINO125OXADIAZOL3YL)5(((6ETHOXY13BENZOTHIAZOL2YL)THIO)METHYL)1H123TRIAZOLE4CARBOXYLATE
ETHYL1(4AMINO125OXADIAZOL3YL)5((6ETHOXY13BENZOTHIAZOL2YL)SULFANYLMETHYL)TRIAZOLE4CARBOXYLATE
InChI=1SC17H17N7O4S2c13269561012(79)3017(1910)2981113(16(25)2742)202324(11)1514(18)21282215h57H348H212H3(H21821)
MFCD01460504
ZINC000002025050
ZINC02025050
ZINC2025050
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