Vitas-M small molecule compound
2-(8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoic acid
Catalog ID
STK333397
SMILES O=C1CCCC2=C1C(c1ccccc1C(=O)O)n1c(N2)ncn1
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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 C16H14N4O3 MW 310.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O3/c21-12-7-3-6-11-13(12)14(20-16(19-11)17-8-18-20)9-4-1-2-5-10(9)15(22)23/h1-2,4-5,8,14H,3,6-7H2,(H,22,23)(H,17,18,19)InChIKey
JSRNTGHTCYWBTH-UHFFFAOYSA-NSynonyms
2(8oxo456789hexahydro(124)triazolo(51b)quinazolin9yl)benzoicacid
2(8oxo5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)benzoicacid
C1CC2=C(C(N3C(=N2)N=CN3)C4=CC=CC=C4C(=O)O)C(=O)C1
InChI=1SC16H14N4O3c21127361113(12)14(2016(1911)1781820)9412510(9)15(22)23h1245814H367H2(H2223)(H171819)
MFCD09963025
ZINC000018195755
ZINC000018195757
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