Vitas-M small molecule compound
butyl 2-chloro-5-{[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}benzoate
Catalog ID
STL381561
SMILES CCCCOC(=O)c1cc(ccc1Cl)NC(=O)CN1C(=O)COc2c1cc(Cl)cc2
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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 C21H20Cl2N2O5 MW 451.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N2O5/c1-2-3-8-29-21(28)15-10-14(5-6-16(15)23)24-19(26)11-25-17-9-13(22)4-7-18(17)30-12-20(25)27/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,24,26)InChIKey
XHQWSWSKTJDTLL-UHFFFAOYSA-NSynonyms
butyl2chloro5(((6chloro3oxo23dihydro4H14benzoxazin4yl)acetyl)amino)benzoate
butyl2chloro5((2(6chloro3oxo14benzoxazin4yl)acetyl)amino)benzoate
CCCCOC(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)Cl
InChI=1SC21H20Cl2N2O5c12382921(28)151014(5616(15)23)2419(26)112517913(22)4718(17)301220(25)27h47910H2381112H21H3(H2426)
MFCD07157207
ZINC000009235777
ZINC09235777
ZINC9235777
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