Vitas-M small molecule compound
3-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4-dihydro-1H-isochromen-1-one
Catalog ID
STK950077
SMILES O=C1OC(Cc2c1cccc2)c1nn2c(s1)nnc2c1ccccc1
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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 C18H12N4O2S MW 348.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O2S/c23-17-13-9-5-4-8-12(13)10-14(24-17)16-21-22-15(19-20-18(22)25-16)11-6-2-1-3-7-11/h1-9,14H,10H2InChIKey
QNENVQOENWIKMQ-UHFFFAOYSA-NSynonyms
627044-27-33(3phenyl(124)triazolo(34b)(134)thiadiazol6yl)34dihydro1Hisochromen1one
3(3PHENYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)34DIHYDROISOCHROMEN1ONE
3(3PHENYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)ISOCHROMAN1ONE
627044273
C1C(OC(=O)C2=CC=CC=C21)C3=NN4C(=NN=C4S3)C5=CC=CC=C5
InChI=1SC18H12N4O2Sc231713954812(13)1014(2417)16212215(192018(22)2516)116213711h1914H10H2
MFCD05827251
ZINC000000620607
ZINC000002706943
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