Vitas-M small molecule compound

2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide

Catalog ID
STK739531
SMILES OC(CN1C(=O)c2c(S1(=O)=O)cccc2)COc1ccc(cc1)[N+](=O)[O-]

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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 C16H14N2O7S MW 378.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O7S/c19-12(10-25-13-7-5-11(6-8-13)18(21)22)9-17-16(20)14-3-1-2-4-15(14)26(17,23)24/h1-8,12,19H,9-10H2
InChIKey
MSENZEKLDNFOBN-UHFFFAOYSA-N
Synonyms
361474-13-7
2(2HYDROXY3(4NITROPHENOXY)PROPYL)11DIOXO12BENZOTHIAZOL3ONE
2(2hydroxy3(4nitrophenoxy)propyl)12benzothiazol3(2H)one11dioxide
2(2HYDROXY3(4NITROPHENOXY)PROPYL)2HYDROBENZO(D)ISOTHIAZOLE113TRIONE
2(2hydroxy3(4nitrophenoxy)propyl)benzo(d)isothiazol3(2H)one11dioxide
361474137
C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(COC3=CC=C(C=C3)(N+)(=O)(O))O
InChI=1SC16H14N2O7Sc1912(1025137511(6813)18(21)22)91716(20)14312415(14)26(1723)24h181219H910H2
MFCD02083689
OC(CN1C(=O)c2c(S1(=O)=O)cccc2)COc1ccc(cc1)(N+)(=O)(O)
ZINC000000863047
ZINC000000863048

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Available files

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