Vitas-M small molecule compound

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

Catalog ID
STK812321
SMILES COCCCNC(=O)c1c(NC(=O)COc2ccc(cc2)F)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 C21H25FN2O4S MW 420.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN2O4S/c1-27-12-4-11-23-20(26)19-16-5-2-3-6-17(16)29-21(19)24-18(25)13-28-15-9-7-14(22)8-10-15/h7-10H,2-6,11-13H2,1H3,(H,23,26)(H,24,25)
InChIKey
DACQPPABNGPWOO-UHFFFAOYSA-N
Synonyms

2(((4fluorophenoxy)acetyl)amino)N(3methoxypropyl)4567tetrahydro1benzothiophene3carboxamide
2((2(4fluorophenoxy)acetyl)amino)N(3methoxypropyl)4567tetrahydro1benzothiophene3carboxamide
COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)F
InChI=1SC21H25FN2O4Sc127124112320(26)1916523617(16)2921(19)2418(25)1328159714(22)81015h710H261113H21H3(H2326)(H2425)
MFCD03696123
ZINC000004185207
ZINC04185207
ZINC4185207

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Available files

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