Vitas-M small molecule compound
benzyl {[4-amino-5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STL177365
SMILES O=C(CSc1nnc(n1N)c1cccc(c1)Br)OCc1ccccc1
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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 C17H15BrN4O2S MW 419.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15BrN4O2S/c18-14-8-4-7-13(9-14)16-20-21-17(22(16)19)25-11-15(23)24-10-12-5-2-1-3-6-12/h1-9H,10-11,19H2InChIKey
SDFBOMVSHPDRNL-UHFFFAOYSA-NSynonyms
827593-28-2827593282
benzyl((4amino5(3bromophenyl)4H124triazol3yl)sulfanyl)acetate
BENZYL2((4AMINO5(3BROMOPHENYL)124TRIAZOL3YL)SULFANYL)ACETATE
C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Br
InChI=1SC17H15BrN4O2Sc181484713(914)16202117(22(16)19)251115(23)2410125213612h19H101119H2
MFCD03610389
ZINC000002776967
ZINC02776967
ZINC2776967
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