Vitas-M small molecule compound
(3E)-6-chloro-3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STL442903
SMILES COc1cc(OC)ccc1C(=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 C18H14ClNO5 MW 359.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClNO5/c1-23-11-4-5-12(17(8-11)24-2)15(21)9-14-18(22)25-16-6-3-10(19)7-13(16)20-14/h3-9,20H,1-2H3/b14-9+InChIKey
NAPTXBIAWKBNFY-NTEUORMPSA-NSynonyms
(3E)6chloro3(2(24dimethoxyphenyl)2oxoethylidene)34dihydro2H14benzoxazin2one
(3E)6chloro3(2(24dimethoxyphenyl)2oxoethylidene)4H14benzoxazin2one
COC1=CC(=C(C=C1)C(=O)C=C2C(=O)OC3=C(N2)C=C(C=C3)Cl)OC
COc1cc(OC)ccc1C(=O)C=c1(nH)c2cc(Cl)ccc2oc1=O
InChI=1SC18H14ClNO5c123114512(17(811)242)15(21)91418(22)25166310(19)713(16)2014h3920H12H3b149+
MFCD14741906
ZINC000101355760
ZINC101355760
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