Vitas-M small molecule compound
(3E)-3-(2H-chromen-3-ylmethylidene)-2-(2-hydroxyethyl)-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
Catalog ID
STL236675
SMILES OCCN1/C(=C/C2=Cc3c(OC2)cccc3)/C(=O)c2c(S1(=O)=O)cccc2
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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/c22-10-9-21-17(12-14-11-15-5-1-3-7-18(15)26-13-14)20(23)16-6-2-4-8-19(16)27(21,24)25/h1-8,11-12,22H,9-10,13H2/b17-12+InChIKey
SOCJKNJEXPIKLM-SFQUDFHCSA-NSynonyms
951968-70-0(3E)3(2Hchromen3ylmethylidene)2(2hydroxyethyl)11dioxo1$l^(6)2benzothiazin4one
(3E)3(2Hchromen3ylmethylidene)2(2hydroxyethyl)23dihydro4H12benzothiazin4one11dioxide
(E)3((2Hchromen3yl)methylene)2(2hydroxyethyl)2Hbenzo(e)(12)thiazin4(3H)one11dioxide
951968700
C1C(=CC2=CC=CC=C2O1)C=C3C(=O)C4=CC=CC=C4S(=O)(=O)N3CCO
InChI=1SC20H17NO5Sc221092117(12141115513718(15)261314)20(23)16624819(16)27(2124)25h18111222H91013H2b1712+
MFCD09857512
OCCN1C(=CC2=Cc3c(OC2)cccc3)C(=O)c2c(S1(=O)=O)cccc2
ZINC000013730518
ZINC13730518
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