Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(2-fluorobenzyl)-3,6-dimethyl-1-benzofuran-2-carboxamide
Catalog ID
STK882919
SMILES O=C(c1oc2c(c1C)cc(c(c2)C)Cl)N(C1CCS(=O)(=O)C1)Cc1ccccc1F
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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 C22H21ClFNO4S MW 449.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFNO4S/c1-13-9-20-17(10-18(13)23)14(2)21(29-20)22(26)25(16-7-8-30(27,28)12-16)11-15-5-3-4-6-19(15)24/h3-6,9-10,16H,7-8,11-12H2,1-2H3InChIKey
LTMPYUBNWPLKOL-UHFFFAOYSA-NSynonyms
879950-82-05chloroN(11dioxidotetrahydrothiophen3yl)N(2fluorobenzyl)36dimethyl1benzofuran2carboxamide
5chloroN(11dioxothiolan3yl)N((2fluorophenyl)methyl)36dimethyl1benzofuran2carboxamide
879950820
CC1=C(C=C2C(=C(OC2=C1)C(=O)N(CC3=CC=CC=C3F)C4CCS(=O)(=O)C4)C)Cl
InChI=1SC22H21ClFNO4Sc11392017(1018(13)23)14(2)21(2920)22(26)25(167830(2728)1216)1115534619(15)24h3691016H781112H212H3
MFCD06646533
ZINC000008612160
ZINC000008612161
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