Vitas-M small molecule compound
(3E)-6-(ethylsulfonyl)-3-[(3E)-2-oxo-4-phenylbut-3-en-1-ylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STK771560
SMILES CCS(=O)(=O)c1ccc2c(c1)[nH]/c(=C/C(=O)/C=C/c1ccccc1)/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 C20H17NO5S MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5S/c1-2-27(24,25)16-10-11-19-17(13-16)21-18(20(23)26-19)12-15(22)9-8-14-6-4-3-5-7-14/h3-13,21H,2H2,1H3/b9-8+,18-12+InChIKey
XNZDGAQIFQIDBD-JSZSTJHOSA-NSynonyms
(3E)6(ethylsulfonyl)3((3E)2oxo4phenylbut3en1ylidene)34dihydro2H14benzoxazin2one
(3E)6ETHYLSULFONYL3((E)2OXO4PHENYLBUT3ENYLIDENE)4H14BENZOXAZIN2ONE
(E)6(ethylsulfonyl)3((E)2oxo4phenylbut3en1ylidene)34dihydro2Hbenzo(b)(14)oxazin2one
CCS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=CC(=O)C=CC3=CC=CC=C3)N2
CCS(=O)(=O)c1ccc2c(c1)(nH)c(=CC(=O)C=Cc1ccccc1)c(=O)o2
InChI=1SC20H17NO5Sc1227(2425)1610111917(1316)2118(20(23)2619)1215(22)98146435714h31321H2H21H3b98+1812+
MFCD03287151
ZINC000100135788
ZINC100135788
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