Vitas-M small molecule compound
4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}benzoic acid
Catalog ID
STK594847
SMILES OC(=O)c1ccc(cc1)n1c(=S)[nH]nc1Cn1ncc2c(c1=O)cccc2
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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 C18H13N5O3S MW 379.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N5O3S/c24-16-14-4-2-1-3-12(14)9-19-22(16)10-15-20-21-18(27)23(15)13-7-5-11(6-8-13)17(25)26/h1-9H,10H2,(H,21,27)(H,25,26)InChIKey
ZQIYTUDAGBKTOH-UHFFFAOYSA-NSynonyms
728013-29-44(3((1oxophthalazin2(1H)yl)methyl)5thioxo15dihydro4H124triazol4yl)benzoicacid
MFCD07209101
OC(=O)c1ccc(cc1)n1c(=S)(nH)nc1Cn1ncc2c(c1=O)cccc2
ZINC000005906631
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