Vitas-M small molecule compound
(3E)-6-chloro-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STK728447
SMILES COc1ccc(cc1)C(=O)/C=c\1/[nH]c2cc(Cl)ccc2oc1=O
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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 C17H12ClNO4 MW 329.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClNO4/c1-22-12-5-2-10(3-6-12)15(20)9-14-17(21)23-16-7-4-11(18)8-13(16)19-14/h2-9,19H,1H3/b14-9+InChIKey
WKPWKOUTHGERMM-NTEUORMPSA-NSynonyms
(3E)6chloro3(2(4methoxyphenyl)2oxoethylidene)34dihydro2H14benzoxazin2one
(3E)6CHLORO3(2(4METHOXYPHENYL)2OXOETHYLIDENE)4H14BENZOXAZIN2ONE
(E)6chloro3(2(4methoxyphenyl)2oxoethylidene)34dihydro2Hbenzo(b)(14)oxazin2one
COC1=CC=C(C=C1)C(=O)C=C2C(=O)OC3=C(N2)C=C(C=C3)Cl
COc1ccc(cc1)C(=O)C=c1(nH)c2cc(Cl)ccc2oc1=O
InChI=1SC17H12ClNO4c122125210(3612)15(20)91417(21)23167411(18)813(16)1914h2919H1H3b149+
MFCD03292718
ZINC000100166414
ZINC100166414
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