Vitas-M small molecule compound
3-(4-chlorophenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-one
Catalog ID
STK786122
SMILES O=C1C2OCC(O2)C2C1C(=NO2)c1ccc(cc1)Cl
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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 C13H10ClNO4 MW 279.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10ClNO4/c14-7-3-1-6(2-4-7)10-9-11(16)13-17-5-8(18-13)12(9)19-15-10/h1-4,8-9,12-13H,5H2InChIKey
BWOGNRRIYDTYOH-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)3a788atetrahydro58epoxyoxepino(45d)(12)oxazol4(5H)one
C1C2C3C(C(=O)C(O1)O2)C(=NO3)C4=CC=C(C=C4)Cl
InChI=1SC13H10ClNO4c147316(247)10911(16)131758(1813)12(9)191510h14891213H5H2
MFCD08532101
ZINC000103194900
ZINC000245254771
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