Vitas-M small molecule compound
ethyl 3-(2-cyano-7-fluoro-1,1-dioxido-4H-1,4-benzothiazin-4-yl)benzoate
Catalog ID
STL097066
SMILES CCOC(=O)c1cccc(c1)N1C=C(C#N)S(=O)(=O)c2c1ccc(c2)F
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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 C18H13FN2O4S MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13FN2O4S/c1-2-25-18(22)12-4-3-5-14(8-12)21-11-15(10-20)26(23,24)17-9-13(19)6-7-16(17)21/h3-9,11H,2H2,1H3InChIKey
JJYPDONHNGKHNJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)N2C=C(S(=O)(=O)C3=C2C=CC(=C3)F)C#N
ethyl3(2cyano7fluoro11dioxido4H14benzothiazin4yl)benzoate
ETHYL3(2CYANO7FLUORO11DIOXIDO4HBENZO(B)(14)THIAZIN4YL)BENZOATE
ethyl3(2cyano7fluoro11dioxo1$l^(6)4benzothiazin4yl)benzoate
InChI=1SC18H13FN2O4Sc122518(22)1243514(812)211115(1020)26(2324)17913(19)6716(17)21h3911H2H21H3
MFCD18788903
ZINC000065096015
ZINC65096015
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