Vitas-M small molecule compound
methyl 2-(acetylamino)-7-chloro-6-{[(4-hydroxybutyl)amino]methyl}-1-benzothiophene-3-carboxylate
Catalog ID
STK280068
SMILES OCCCCNCc1ccc2c(c1Cl)sc(c2C(=O)OC)NC(=O)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 C17H21ClN2O4S MW 384.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN2O4S/c1-10(22)20-16-13(17(23)24-2)12-6-5-11(14(18)15(12)25-16)9-19-7-3-4-8-21/h5-6,19,21H,3-4,7-9H2,1-2H3,(H,20,22)InChIKey
AMCFTBXHSIZBMI-UHFFFAOYSA-NSynonyms
924976-23-8924976238
CC(=O)NC1=C(C2=C(S1)C(=C(C=C2)CNCCCCO)Cl)C(=O)OC
InChI=1SC17H21ClN2O4Sc110(22)201613(17(23)242)126511(14(18)15(12)2516)919734821h561921H3479H212H3(H2022)
methyl2(acetylamino)7chloro6(((4hydroxybutyl)amino)methyl)1benzothiophene3carboxylate
methyl2acetamido7chloro6((4hydroxybutylamino)methyl)1benzothiophene3carboxylate
MFCD01992813
ZINC000009943103
ZINC9943103
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