Vitas-M small molecule compound

methyl 2-{[(2-chloro-4,5-difluorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK957297
SMILES COC(=O)c1c(NC(=O)c2cc(F)c(cc2Cl)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 C17H14ClF2NO3S MW 385.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClF2NO3S/c1-24-17(23)14-8-4-2-3-5-13(8)25-16(14)21-15(22)9-6-11(19)12(20)7-10(9)18/h6-7H,2-5H2,1H3,(H,21,22)
InChIKey
ATJFFVJFOCEJEY-UHFFFAOYSA-N
Synonyms
438614-51-8
438614518
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3Cl)F)F
InChI=1SC17H14ClF2NO3Sc12417(23)148423513(8)2516(14)2115(22)9611(19)12(20)710(9)18h67H25H21H3(H2122)
methyl2(((2chloro45difluorophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2chloro45difluorobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01919033
ZINC000000996014
ZINC00996014
ZINC996014

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Available files

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