Vitas-M small molecule compound
(3E)-6-(ethylsulfonyl)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STK853582
SMILES COc1cccc(c1)C(=O)/C=c\1/[nH]c2cc(ccc2oc1=O)S(=O)(=O)CC
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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 C19H17NO6S MW 387.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO6S/c1-3-27(23,24)14-7-8-18-15(10-14)20-16(19(22)26-18)11-17(21)12-5-4-6-13(9-12)25-2/h4-11,20H,3H2,1-2H3/b16-11+InChIKey
QPYLYXFLRXUCIV-LFIBNONCSA-NSynonyms
(3E)6(ethylsulfonyl)3(2(3methoxyphenyl)2oxoethylidene)34dihydro2H14benzoxazin2one
(3E)6ETHYLSULFONYL3(2(3METHOXYPHENYL)2OXOETHYLIDENE)4H14BENZOXAZIN2ONE
(E)6(ethylsulfonyl)3(2(3methoxyphenyl)2oxoethylidene)34dihydro2Hbenzo(b)(14)oxazin2one
CCS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=CC(=O)C3=CC(=CC=C3)OC)N2
COc1cccc(c1)C(=O)C=c1(nH)c2cc(ccc2oc1=O)S(=O)(=O)CC
InChI=1SC19H17NO6Sc1327(2324)14781815(1014)2016(19(22)2618)1117(21)1254613(912)252h41120H3H212H3b1611+
MFCD03298893
ZINC000100820587
ZINC100820587
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