Vitas-M small molecule compound
5-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(3-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
Catalog ID
STK909431
SMILES Brc1ccc2c(c1)c(C)c(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)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 C21H19BrFNO4S MW 480.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrFNO4S/c1-13-18-10-15(22)5-6-19(18)28-20(13)21(25)24(17-7-8-29(26,27)12-17)11-14-3-2-4-16(23)9-14/h2-6,9-10,17H,7-8,11-12H2,1H3InChIKey
XJNJLGWKJUPNON-UHFFFAOYSA-NSynonyms
880788-22-75bromoN(11dioxidotetrahydrothiophen3yl)N(3fluorobenzyl)3methyl1benzofuran2carboxamide
5bromoN(11dioxothiolan3yl)N((3fluorophenyl)methyl)3methyl1benzofuran2carboxamide
880788227
CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N(CC3=CC(=CC=C3)F)C4CCS(=O)(=O)C4
InChI=1SC21H19BrFNO4Sc113181015(22)5619(18)2820(13)21(25)24(177829(2627)1217)111432416(23)914h2691017H781112H21H3
MFCD06648621
ZINC000016753922
ZINC000016753925
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