Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-(pyrazin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK851693
SMILES S=c1[nH]nc(n1c1ccc2c(c1)OCO2)c1cnccn1
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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 C13H9N5O2S MW 299.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O2S/c21-13-17-16-12(9-6-14-3-4-15-9)18(13)8-1-2-10-11(5-8)20-7-19-10/h1-6H,7H2,(H,17,21)InChIKey
GXONPQQVZAKFLZ-UHFFFAOYSA-NSynonyms
847269-08-34(13BENZODIOXOL5YL)3PYRAZIN2YL1H124TRIAZOLE5THIONE
4(13benzodioxol5yl)5(pyrazin2yl)24dihydro3H124triazole3thione
847269083
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NC=CN=C4
InChI=1SC13H9N5O2Sc2113171612(961434159)18(13)8121011(58)2071910h16H7H2(H1721)
MFCD07202695
S=c1(nH)nc(n1c1ccc2c(c1)OCO2)c1cnccn1
ZINC5927241
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