Vitas-M small molecule compound

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate

Catalog ID
STK770270
SMILES CCOC(=O)c1nnn(c1CSc1ccc(cc1)C)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 C15H16N6O3S MW 360.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N6O3S/c1-3-23-15(22)12-11(8-25-10-6-4-9(2)5-7-10)21(20-17-12)14-13(16)18-24-19-14/h4-7H,3,8H2,1-2H3,(H2,16,18)
InChIKey
YABICWGRDOCOPQ-UHFFFAOYSA-N
Synonyms

1(4AMINO125OXADIAZOL3YL)5(((4METHYLPHENYL)THIO)METHYL)4TRIAZOLECARBOXYLICACIDETHYLESTER
1(4AMINOFURAZAN3YL)5((PTOLYLTHIO)METHYL)TRIAZOLE4CARBOXYLICACIDETHYLESTER
1H(123)TRIAZOLE4CARBOXYLICACID1(4AMINOFURAZAN3YL)5(PTOLYLSULFANYLMETHYL)ETHYLESTER
CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=C(C=C3)C
ethyl1(4amino125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)1H123triazole4carboxylate
ETHYL1(4AMINO125OXADIAZOL3YL)5(((4METHYLPHENYL)THIO)METHYL)1H123TRIAZOLE4CARBOXYLATE
ETHYL1(4AMINO125OXADIAZOL3YL)5((4METHYLPHENYL)SULFANYLMETHYL)TRIAZOLE4CARBOXYLATE
ETHYL1(4AZANYL125OXADIAZOL3YL)5((4METHYLPHENYL)SULFANYLMETHYL)123TRIAZOLE4CARBOXYLATE
InChI=1SC15H16N6O3Sc132315(22)1211(82510649(2)5710)21(201712)1413(16)18241914h47H38H212H3(H21618)
MFCD03765934
ZINC000000719991
ZINC00719991
ZINC719991

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.