Vitas-M small molecule compound

2-[(1S,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]oct-2-yl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide (non-preferred name)

Catalog ID
STK746634
SMILES O=C1CC([C@@H]2O[C@H]1OC2)N1C(=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 C13H11NO6S MW 309.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11NO6S/c15-9-5-8(10-6-19-13(9)20-10)14-12(16)7-3-1-2-4-11(7)21(14,17)18/h1-4,8,10,13H,5-6H2/t8?,10-,13-/m1/s1
InChIKey
ZNMYEXIBTAYDLI-KHQYTQLFSA-N
Synonyms

11dioxo2((1S5R)4oxo68dioxabicyclo(321)octan2yl)12benzothiazol3one
2((1S2S5R)4OXO68DIOXABICYCLO(321)OCT2YL)2HYDROBENZO(D)ISOTHIAZOLE113TRIONE
2((1S5R)4oxo68dioxabicyclo(321)oct2yl)12benzothiazol3(2H)one11dioxide(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=O)C4=CC=CC=C4S3(=O)=O
InChI=1SC13H11NO6Sc15958(1061913(9)2010)1412(16)7312411(7)21(1417)18h1481013H56H2t8?1013m1s1
MFCD09038456
O=C1CC((C@@H)2O(C@H)1OC2)N1C(=O)c2c(S1(=O)=O)cccc2
ZINC000000098339
ZINC000001072505

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Available files

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