Vitas-M small molecule compound
9-(4-hydroxy-3-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK333338
SMILES COc1cc(ccc1O)C1C2=C(CCCC2=O)Nc2n1ncn2
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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 C16H16N4O3 MW 312.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O3/c1-23-13-7-9(5-6-11(13)21)15-14-10(3-2-4-12(14)22)19-16-17-8-18-20(15)16/h5-8,15,21H,2-4H2,1H3,(H,17,18,19)InChIKey
MMKMXEFGCRMEAI-UHFFFAOYSA-NSynonyms
9(4hydroxy3methoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4hydroxy3methoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)N=C4N2NC=N4)O
InChI=1SC16H16N4O3c1231379(5611(13)21)151410(32412(14)22)19161781820(15)16h581521H24H21H3(H171819)
MFCD09962994
ZINC000018195693
ZINC000018195694
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