Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-4-(2,1,3-benzoxadiazol-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK631552
SMILES S=c1[nH]nc(n1c1cccc2c1non2)c1ccc2c(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 C15H9N5O3S MW 339.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9N5O3S/c24-15-17-16-14(8-4-5-11-12(6-8)22-7-21-11)20(15)10-3-1-2-9-13(10)19-23-18-9/h1-6H,7H2,(H,17,24)InChIKey
QMGZJOIASHLPKW-UHFFFAOYSA-NSynonyms
951980-28-23(13benzodioxol5yl)4(213benzoxadiazol4yl)1H124triazole5thione
5(13benzodioxol5yl)4(213benzoxadiazol4yl)24dihydro3H124triazole3thione
951980282
C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=CC5=NON=C54
InChI=1SC15H9N5O3Sc2415171614(8451112(68)2272111)20(15)10312913(10)1923189h16H7H2(H1724)
MFCD18159503
S=c1(nH)nc(n1c1cccc2c1non2)c1ccc2c(c1)OCO2
ZINC000013731823
ZINC13731823
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