Vitas-M small molecule compound

3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ol 1,1-dioxide

Catalog ID
STK626315
SMILES OC1C(Cc2ccc3c(c2)OCO3)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 C16H15NO5S MW 333.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO5S/c18-16-11-3-1-2-4-15(11)23(19,20)17-12(16)7-10-5-6-13-14(8-10)22-9-21-13/h1-6,8,12,16-18H,7,9H2
InChIKey
HLYJFIKEMXFAJO-UHFFFAOYSA-N
Synonyms
929866-84-2
3(13benzodioxol5ylmethyl)11dioxo34dihydro2H1$l^(6)2benzothiazin4ol
3(13benzodioxol5ylmethyl)34dihydro2H12benzothiazin4ol11dioxide
3(benzo(d)(13)dioxol5ylmethyl)4hydroxy34dihydro2Hbenzo(e)(12)thiazine11dioxide
929866842
C1OC2=C(O1)C=C(C=C2)CC3C(C4=CC=CC=C4S(=O)(=O)N3)O
InChI=1SC16H15NO5Sc181611312415(11)23(1920)1712(16)710561314(810)2292113h168121618H79H2
MFCD09797595
ZINC000009483158
ZINC000009483171

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Available files

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