Vitas-M small molecule compound
[(2R,3R,5R)-8-methyl-9-oxo-2,3-dihydro-9H-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-3-yl]methyl benzoate
Catalog ID
STL507243
SMILES O=C(c1ccccc1)OC[C@H]1O[C@@H]2C[C@@H]1Oc1n2cc(c(=O)n1)C
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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 C17H16N2O5 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5/c1-10-8-19-14-7-12(24-17(19)18-15(10)20)13(23-14)9-22-16(21)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3/t12-,13-,14-/m1/s1InChIKey
WUQUVOAMQGVMKB-MGPQQGTHSA-NSynonyms
((1~(R)9~(R)10~(R))4methyl5oxo811dioxa26diazatricyclo(7210^(27))dodeca36dien10yl)methylbenzoate
((2R3R5R)8methyl9oxo23dihydro9H25methanopyrimido(21b)(153)dioxazepin3yl)methylbenzoate
(2R3R5R)3((BENZOYLOXY)METHYL)23DIHYDRO8METHYL25METHANO5H9HPYRIMIDO(21B)(153)DIOXAZEPIN9ONE
11023922
23ANHYDRO5OBENZOYLTHYMIDINE
5OBENZOYL23ANHYDROTHYMIDINE
InChI=1SC17H16N2O5c11081914712(2417(19)1815(10)20)13(2314)92216(21)115324611h2681214H79H21H3t121314m1s1
ZINC000003894312
ZINC3894312
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