Vitas-M small molecule compound

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

Catalog ID
STK781019
SMILES CCOC(=O)c1nnn(c1CS(=O)(=O)c1ccc(cc1)Cl)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 C14H13ClN6O5S MW 412.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13ClN6O5S/c1-2-25-14(22)11-10(21(20-17-11)13-12(16)18-26-19-13)7-27(23,24)9-5-3-8(15)4-6-9/h3-6H,2,7H2,1H3,(H2,16,18)
InChIKey
WMOOOVYOGQGBAX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CS(=O)(=O)C3=CC=C(C=C3)Cl
ethyl1(4amino125oxadiazol3yl)5(((4chlorophenyl)sulfonyl)methyl)1H123triazole4carboxylate
ETHYL1(4AMINO125OXADIAZOL3YL)5((4CHLOROPHENYL)SULFONYLMETHYL)TRIAZOLE4CARBOXYLATE
InChI=1SC14H13ClN6O5Sc122514(22)1110(21(201711)1312(16)18261913)727(2324)9538(15)469h36H27H21H3(H21618)
MFCD06014184
ZINC000012413746
ZINC12413746

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Available files

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