Vitas-M small molecule compound
6-(azepan-1-ylsulfonyl)-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
Catalog ID
STK983523
SMILES COc1ccc(cc1C(=O)Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N1CCCCCC1)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 C22H23FN2O6S MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2O6S/c1-30-20-9-6-15(23)12-17(20)19(26)14-25-18-8-7-16(13-21(18)31-22(25)27)32(28,29)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11,14H2,1H3InChIKey
JINUIDCIFFRBSR-UHFFFAOYSA-NSynonyms
6(azepan1ylsulfonyl)3(2(5fluoro2methoxyphenyl)2oxoethyl)13benzoxazol2(3H)one
6(azepan1ylsulfonyl)3(2(5fluoro2methoxyphenyl)2oxoethyl)13benzoxazol2one
COC1=C(C=C(C=C1)F)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O
InChI=1SC22H23FN2O6Sc130209615(23)1217(20)19(26)1425188716(1321(18)3122(25)27)32(2829)241042351124h691213H25101114H21H3
MFCD08847689
ZINC000011689602
ZINC11689602
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