Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid

Catalog ID
STK591966
SMILES Clc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)O

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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 C12H9ClN6O3S MW 352.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClN6O3S/c13-6-1-3-7(4-2-6)23-5-8-9(12(20)21)15-18-19(8)11-10(14)16-22-17-11/h1-4H,5H2,(H2,14,16)(H,20,21)
InChIKey
ZWDGEPYABVXDDV-UHFFFAOYSA-N
Synonyms
898097-76-2
1(4amino125oxadiazol3yl)5(((4chlorophenyl)sulfanyl)methyl)1H123triazole4carboxylicacid
1(4amino125oxadiazol3yl)5(((4chlorophenyl)thio)methyl)1H123triazole4carboxylicacid
1(4AMINO125OXADIAZOL3YL)5((4CHLOROPHENYL)SULFANYLMETHYL)TRIAZOLE4CARBOXYLICACID
898097762
C1=CC(=CC=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)O)Cl
InChI=1SC12H9ClN6O3Sc136137(426)23589(12(20)21)151819(8)1110(14)16221711h14H5H2(H21416)(H2021)
MFCD07641989
ZINC000005483274
ZINC5483274

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Available files

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