Vitas-M small molecule compound
methyl 4-{[9-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-9,10-dihydro-4H,8H-chromeno[8,7-e][1,3]oxazin-3-yl]oxy}benzoate
Catalog ID
STL099288
SMILES COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc1c2CN(CO1)c1ccc2c(c1)OCCO2
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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 C27H21NO8 MW 487.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO8/c1-31-27(30)16-2-5-18(6-3-16)36-24-14-34-26-19(25(24)29)7-9-21-20(26)13-28(15-35-21)17-4-8-22-23(12-17)33-11-10-32-22/h2-9,12,14H,10-11,13,15H2,1H3InChIKey
WDBVEUWPEFZYBZ-UHFFFAOYSA-NSynonyms
951957-62-3951957623
COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC4=C3CN(CO4)C5=CC6=C(C=C5)OCCO6
InChI=1SC27H21NO8c13127(30)162518(6316)362414342619(25(24)29)792120(26)1328(153521)17482223(1217)3311103222h291214H10111315H21H3
methyl4((9(23dihydro14benzodioxin6yl)4oxo810dihydropyrano(23f)(13)benzoxazin3yl)oxy)benzoate
methyl4((9(23dihydro14benzodioxin6yl)4oxo910dihydro4H8Hchromeno(87e)(13)oxazin3yl)oxy)benzoate
methyl4((9(23dihydrobenzo(b)(14)dioxin6yl)4oxo48910tetrahydrochromeno(87e)(13)oxazin3yl)oxy)benzoate
METHYL4(9(2H3HBENZO(34E)14DIOXIN6YL)4OXO8H10HCHROMENO(87E)13OXAZAPERHYDROIN3YLOXY)BENZOATE
MFCD09855330
ZINC000013722104
ZINC13722104
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