Vitas-M small molecule compound
7-chloro-9'-(3-chloro-4-hydroxyphenyl)-4,6-dimethoxy-6'-methyl-1',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazoline]-3,8'-dione
Catalog ID
STL549782
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=C(C1=O)C(c1ccc(c(c1)Cl)O)n1c(=N2)nc[nH]1)Cl
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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 C25H20Cl2N4O6 MW 543.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N4O6/c1-10-6-13-17(20(31-24(30-13)28-9-29-31)11-4-5-14(32)12(26)7-11)22(33)25(10)23(34)18-15(35-2)8-16(36-3)19(27)21(18)37-25/h4-5,7-10,20,32H,6H2,1-3H3,(H,28,29,30)InChIKey
NEBRIRQHMDSBRH-UHFFFAOYSA-NSynonyms
135639844
7chloro9(3chloro4hydroxyphenyl)46dimethoxy6methyl1569tetrahydro3H8Hspiro(1benzofuran27(124)triazolo(51b)quinazoline)38dione
7chloro9(3chloro4hydroxyphenyl)46dimethoxy6methylspiro(1benzofuran274569tetrahydro(124)triazolo(51b)quinazoline)38dione
InChI=1SC25H20Cl2N4O6c11061317(20(3124(3013)2892931)114514(32)12(26)711)22(33)25(10)23(34)1815(352)816(363)19(27)21(18)3725h457102032H6H213H3(H282930)
MFCD31757202
ZINC000888089878
ZINC000888089881
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