Vitas-M small molecule compound
4-({3-[(4-ethoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
Catalog ID
STK022458
SMILES CCOc1ccc(cc1)NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC(C2)C
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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 C22H26N2O5S MW 430.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5S/c1-3-29-15-7-5-14(6-8-15)23-21(28)20-16-9-4-13(2)12-17(16)30-22(20)24-18(25)10-11-19(26)27/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)InChIKey
GKLUOXBVSBKOCK-UHFFFAOYSA-NSynonyms
4((3((4ethoxyphenyl)carbamoyl)6methyl4567tetrahydro1benzothiophen2yl)amino)4oxobutanoicacid
CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)CCC(=O)O
CCOc1ccc(cc1)NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC(C2)C
InChI=1SC22H26N2O5Sc1329157514(6815)2321(28)20169413(2)1217(16)3022(20)2418(25)101119(26)27h5813H34912H212H3(H2328)(H2425)(H2627)
MFCD01823811
STK022458
ZINC000000722408
ZINC000000722409
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