Vitas-M small molecule compound
methyl 2-{[N-(4-ethylphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL032087
SMILES CCc1ccc(cc1)N(S(=O)(=O)C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C21H26N2O5S2 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O5S2/c1-4-14-9-11-15(12-10-14)23(30(3,26)27)13-18(24)22-20-19(21(25)28-2)16-7-5-6-8-17(16)29-20/h9-12H,4-8,13H2,1-3H3,(H,22,24)InChIKey
ZFJXAEVBIAUKEM-UHFFFAOYSA-NSynonyms
565169-10-0565169100
CCC1=CC=C(C=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C
InChI=1SC21H26N2O5S2c141491115(121014)23(30(326)27)1318(24)222019(21(25)282)16756817(16)2920h912H4813H213H3(H2224)
methyl2((2(4ethylNmethylsulfonylanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((N(4ethylphenyl)N(methylsulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03975003
ZINC000003304679
ZINC03304679
ZINC3304679
Check stock
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Check stock on Vitas-MAvailable files
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