Vitas-M small molecule compound

N-methyl-2-{[(2,4,6-trimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK797795
SMILES CNC(=O)c1c(NC(=O)COc2c(C)cc(cc2C)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 C21H26N2O3S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S/c1-12-9-13(2)19(14(3)10-12)26-11-17(24)23-21-18(20(25)22-4)15-7-5-6-8-16(15)27-21/h9-10H,5-8,11H2,1-4H3,(H,22,25)(H,23,24)
InChIKey
QZZJWIXMNKXGQL-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C(=C1)C)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC)C
InChI=1SC21H26N2O3Sc112913(2)19(14(3)1012)261117(24)232118(20(25)224)15756816(15)2721h910H5811H214H3(H2225)(H2324)
MFCD03461766
Nmethyl2(((246trimethylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
Nmethyl2((2(246trimethylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
ZINC000001103580
ZINC01103580
ZINC1103580

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Available files

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