Vitas-M small molecule compound

methyl 2-({[(2-methylpropyl)amino](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK612964
SMILES COC(=O)c1c(NC(=O)C(=O)NCC(C)C)sc2c1CCCC2

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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 C16H22N2O4S MW 338.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O4S/c1-9(2)8-17-13(19)14(20)18-15-12(16(21)22-3)10-6-4-5-7-11(10)23-15/h9H,4-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKey
NFTKGNCMMLOVJS-UHFFFAOYSA-N
Synonyms
904008-15-7
904008157
CC(C)CNC(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC
InChI=1SC16H22N2O4Sc19(2)81713(19)14(20)181512(16(21)223)10645711(10)2315h9H48H213H3(H1719)(H1820)
methyl2((((2methylpropyl)amino)(oxo)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(2methylpropylamino)2oxoacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(isobutylamino)2oxoacetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD08289279
ZINC000006757715
ZINC06757715
ZINC6757715

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.