Vitas-M small molecule compound
ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}benzoate
Catalog ID
STK114846
SMILES CCOC(=O)c1ccccc1NC(=O)CN1C(=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 C18H16N2O6S MW 388.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O6S/c1-2-26-18(23)12-7-3-5-9-14(12)19-16(21)11-20-17(22)13-8-4-6-10-15(13)27(20,24)25/h3-10H,2,11H2,1H3,(H,19,21)InChIKey
BRSBYTBFMYALEB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O
ETHYL2(((11DIOXIDO3OXO12BENZISOTHIAZOL2(3H)YL)ACETYL)AMINO)BENZOATE
ETHYL2(((11DIOXIDO3OXO12BENZOTHIAZOL2(3H)YL)ACETYL)AMINO)BENZOATE
ETHYL2((2(113TRIOXO12BENZOTHIAZOL2YL)ACETYL)AMINO)BENZOATE
InChI=1SC18H16N2O6Sc122618(23)12735914(12)1916(21)112017(22)138461015(13)27(2024)25h310H211H21H3(H1921)
MFCD03997576
ZINC000000800455
ZINC00800455
ZINC800455
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