Vitas-M small molecule compound
4,5-dimethoxy-2-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)benzoic acid
Catalog ID
STK952672
SMILES COc1cc(C2Oc3ccccc3C3N2N=C(C3)c2ccccc2)c(cc1OC)C(=O)O
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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 C25H22N2O5 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5/c1-30-22-12-17(18(25(28)29)13-23(22)31-2)24-27-20(16-10-6-7-11-21(16)32-24)14-19(26-27)15-8-4-3-5-9-15/h3-13,20,24H,14H2,1-2H3,(H,28,29)InChIKey
HRFVOVVFIBYZIV-UHFFFAOYSA-NSynonyms
442566-73-6442566736
45dimethoxy2(2phenyl110bdihydropyrazolo(15c)(13)benzoxazin5yl)benzoicacid
45DIMETHOXY2(2PHENYL510BDIHYDRO1HBENZO(E)PYRAZOLO(15C)(13)OXAZIN5YL)BENZOICACID
45DIMETHOXY2(2PHENYL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)BENZOICACID
45DIMETHOXY2(9PHENYL(6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN6YL))BENZOICACID
COC1=C(C=C(C(=C1)C2N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5O2)C(=O)O)OC
InChI=1SC25H22N2O5c130221217(18(25(28)29)1323(22)312)242720(1610671121(16)3224)1419(2627)158435915h3132024H14H212H3(H2829)
MFCD03040292
ZINC000012192905
ZINC000012192921
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