Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-(6-hydroxypyridazin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK600771
SMILES Oc1ccc(nn1)c1n[nH]c(=S)n1c1ccc2c(c1)OCO2
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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 C13H9N5O3S MW 315.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O3S/c19-11-4-2-8(14-15-11)12-16-17-13(22)18(12)7-1-3-9-10(5-7)21-6-20-9/h1-5H,6H2,(H,15,19)(H,17,22)InChIKey
NVLBJDLOOFVAIZ-UHFFFAOYSA-NSynonyms
893767-01-63(4(13BENZODIOXOL5YL)5SULFANYLIDENE1H124TRIAZOL3YL)1HPYRIDAZIN6ONE
4(13benzodioxol5yl)5(6hydroxypyridazin3yl)24dihydro3H124triazole3thione
893767016
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NNC(=O)C=C4
InChI=1SC13H9N5O3Sc1911428(141511)12161713(22)18(12)713910(57)216209h15H6H2(H1519)(H1722)
MFCD08734514
Oc1ccc(nn1)c1n(nH)c(=S)n1c1ccc2c(c1)OCO2
ZINC000008741303
ZINC8741303
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