Vitas-M small molecule compound
4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzoic acid
Catalog ID
STK328847
SMILES OC(=O)c1ccc(cc1)n1c(S)nnc1Cn1ncc2c(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)5sulfanyl4H124triazol4yl)benzoicacid
4(3((1OXOPHTHALAZIN2YL)METHYL)5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
4(3mercapto5((1oxophthalazin2(1H)yl)methyl)4H124triazol4yl)benzoicacid
728013294
C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O
InChI=1SC18H13N5O3Sc241614421312(14)91922(16)1015202118(27)23(15)137511(6813)17(25)26h19H10H2(H2127)(H2526)
MFCD06015844
ZINC5906631
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