Vitas-M small molecule compound

(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-2-(propan-2-yl)-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide

Catalog ID
STL008678
SMILES CC(N1/C(=C/c2ccc3c(c2)OCO3)/C(=O)c2c(S1(=O)=O)cccc2)C

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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 C19H17NO5S MW 371.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO5S/c1-12(2)20-15(9-13-7-8-16-17(10-13)25-11-24-16)19(21)14-5-3-4-6-18(14)26(20,22)23/h3-10,12H,11H2,1-2H3/b15-9+
InChIKey
DQBQBFYIKKVZOM-OQLLNIDSSA-N
Synonyms
929963-59-7
(3E)3(13benzodioxol5ylmethylidene)11dioxo2propan2yl1$l^(6)2benzothiazin4one
(3E)3(13benzodioxol5ylmethylidene)2(propan2yl)23dihydro4H12benzothiazin4one11dioxide
(E)3(benzo(d)(13)dioxol5ylmethylene)2isopropyl2Hbenzo(e)(12)thiazin4(3H)one11dioxide
929963597
CC(C)N1C(=CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4S1(=O)=O
CC(N1C(=Cc2ccc3c(c2)OCO3)C(=O)c2c(S1(=O)=O)cccc2)C
InChI=1SC19H17NO5Sc112(2)2015(913781617(1013)25112416)19(21)14534618(14)26(2022)23h31012H11H212H3b159+
MFCD09848735
ZINC000009048128
ZINC09048128
ZINC9048128

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Available files

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