Vitas-M small molecule compound
(3E)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethylidene]-6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STL333987
SMILES CCS(=O)(=O)c1ccc2c(c1)[nH]/c(=C/C(=O)c1sc(nc1C)C)/c(=O)o2
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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 C17H16N2O5S2 MW 392.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5S2/c1-4-26(22,23)11-5-6-15-12(7-11)19-13(17(21)24-15)8-14(20)16-9(2)18-10(3)25-16/h5-8,19H,4H2,1-3H3/b13-8+InChIKey
RVDGQRBSNYMEHG-MDWZMJQESA-NSynonyms
(3E)3(2(24dimethyl13thiazol5yl)2oxoethylidene)6(ethylsulfonyl)34dihydro2H14benzoxazin2one
(3E)3(2(24DIMETHYL13THIAZOL5YL)2OXOETHYLIDENE)6ETHYLSULFONYL4H14BENZOXAZIN2ONE
(E)3(2(24dimethylthiazol5yl)2oxoethylidene)6(ethylsulfonyl)34dihydro2Hbenzo(b)(14)oxazin2one
CCS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=CC(=O)C3=C(N=C(S3)C)C)N2
CCS(=O)(=O)c1ccc2c(c1)(nH)c(=CC(=O)c1sc(nc1C)C)c(=O)o2
InChI=1SC17H16N2O5S2c1426(2223)11561512(711)1913(17(21)2415)814(20)169(2)1810(3)2516h5819H4H213H3b138+
MFCD03291985
ZINC000100820598
ZINC100820598
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