Vitas-M small molecule compound
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK759396
SMILES CCOC(=O)c1nnn(c1CSc1nc2c([nH]1)ccc(c2)OC)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 C16H16N8O4S MW 416.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N8O4S/c1-3-27-15(25)12-11(24(23-20-12)14-13(17)21-28-22-14)7-29-16-18-9-5-4-8(26-2)6-10(9)19-16/h4-6H,3,7H2,1-2H3,(H2,17,21)(H,18,19)InChIKey
ZUNJAXJKPNSWTM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=C(N3)C=C(C=C4)OC
CCOC(=O)c1nnn(c1CSc1nc2c((nH)1)ccc(c2)OC)c1nonc1N
ETHYL1(4AMINO(125OXADIAZOL3YL))5((5METHOXYBENZIMIDAZOL2YLTHIO)METHYL)123TRIAZOLE4CARBOXYLATE
ETHYL1(4AMINO125OXADIAZOL3YL)5(((5METHOXY1H13BENZIMIDAZOL2YL)SULFANYL)METHYL)1H123TRIAZOLE4CARBOXYLATE
ethyl1(4amino125oxadiazol3yl)5(((5methoxy1Hbenzimidazol2yl)sulfanyl)methyl)1H123triazole4carboxylate
ETHYL1(4AMINO125OXADIAZOL3YL)5((6METHOXY1HBENZIMIDAZOL2YL)SULFANYLMETHYL)TRIAZOLE4CARBOXYLATE
InChI=1SC16H16N8O4Sc132715(25)1211(24(232012)1413(17)21282214)72916189548(262)610(9)1916h46H37H212H3(H21721)(H1819)
MFCD01461399
ZINC000002190034
ZINC02190034
ZINC2190034
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