Vitas-M small molecule compound

(3Z)-3-(3,4-dihydroxybenzylidene)-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide

Catalog ID
STL011162
SMILES O=C1/C(=C/c2ccc(c(c2)O)O)/NS(=O)(=O)c2c1cccc2

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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 C15H11NO5S MW 317.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11NO5S/c17-12-6-5-9(8-13(12)18)7-11-15(19)10-3-1-2-4-14(10)22(20,21)16-11/h1-8,16-18H/b11-7-
InChIKey
FZHSCMBNWMEBKE-XFFZJAGNSA-N
Synonyms
929826-41-5
(3Z)3((34dihydroxyphenyl)methylidene)11dioxo1$l^(6)2benzothiazin4one
(3Z)3(34dihydroxybenzylidene)23dihydro4H12benzothiazin4one11dioxide
(Z)3(34dihydroxybenzylidene)2Hbenzo(e)(12)thiazin4(3H)one11dioxide
929826415
C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=C(C=C3)O)O)NS2(=O)=O
InChI=1SC15H11NO5Sc1712659(813(12)18)71115(19)10312414(10)22(2021)1611h181618Hb117
MFCD09845861
O=C1C(=Cc2ccc(c(c2)O)O)NS(=O)(=O)c2c1cccc2
ZINC000009421805
ZINC09421805
ZINC9421805

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.