Vitas-M small molecule compound
methyl 3-(7-chloro-9-methoxy-3-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)benzoate
Catalog ID
STL130342
SMILES COC(=O)c1cccc(c1)N1Cc2cc(Cl)cc(c2OCC1=O)OC
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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 C18H16ClNO5 MW 361.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO5/c1-23-15-8-13(19)6-12-9-20(16(21)10-25-17(12)15)14-5-3-4-11(7-14)18(22)24-2/h3-8H,9-10H2,1-2H3InChIKey
RMUYMXRQJNZABR-UHFFFAOYSA-NSynonyms
COC1=C2C(=CC(=C1)Cl)CN(C(=O)CO2)C3=CC=CC(=C3)C(=O)OC
InChI=1SC18H16ClNO5c12315813(19)612920(16(21)102517(12)15)1453411(714)18(22)242h38H910H212H3
methyl3(7chloro9methoxy3oxo23dihydro14benzoxazepin4(5H)yl)benzoate
methyl3(7chloro9methoxy3oxo5H14benzoxazepin4yl)benzoate
MFCD20749774
ZINC000065184532
ZINC65184532
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