Vitas-M small molecule compound

ethyl 4-(3-oxo-1,2-benzothiazol-2(3H)-yl)benzoate

Catalog ID
STK941576
SMILES CCOC(=O)c1ccc(cc1)n1sc2c(c1=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 C16H13NO3S MW 299.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO3S/c1-2-20-16(19)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)21-17/h3-10H,2H2,1H3
InChIKey
YICDSLBAVQXFOF-UHFFFAOYSA-N
Synonyms
78471-81-5
2(4(ETHOXYCARBONYL)PHENYL)12BENZISOTHIAZOL3(2H)ONE
4(3KETO12BENZOTHIAZOL2YL)BENZOICACIDETHYLESTER
4(3OXO12BENZOTHIAZOL2YL)BENZOICACIDETHYLESTER
78471815
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2
ETHYL4(3OXIDANYLIDENE12BENZOTHIAZOL2YL)BENZOATE
ethyl4(3oxo12benzothiazol2(3H)yl)benzoate
ETHYL4(3OXO12BENZOTHIAZOL2YL)BENZOATE
ETHYL4(3OXOBENZO(D)ISOTHIAZOL2(3H)YL)BENZOATE
InChI=1SC16H13NO3Sc122016(19)117912(10811)1715(18)13534614(13)2117h310H2H21H3
MFCD03986032
ZINC000003350769
ZINC03350769
ZINC3350769

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Available files

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