Vitas-M small molecule compound

methyl 2-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK009517
SMILES COC(=O)c1c(NC(=O)c2cccc(c2)C(F)(F)F)sc2c1CCCCC2

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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 C19H18F3NO3S MW 397.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3NO3S/c1-26-18(25)15-13-8-3-2-4-9-14(13)27-17(15)23-16(24)11-6-5-7-12(10-11)19(20,21)22/h5-7,10H,2-4,8-9H2,1H3,(H,23,24)
InChIKey
FGSMWBCSZNHWOD-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)C(F)(F)F
COC(=O)c1c(NC(=O)c2cccc(c2)C(F)(F)F)sc2c1CCCCC2
InChI=1SC19H18F3NO3Sc12618(25)15138324914(13)2717(15)2316(24)1165712(1011)19(2021)22h5710H2489H21H3(H2324)
methyl2(((3(trifluoromethyl)phenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((3(trifluoromethyl)benzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01820772
STK009517
ZINC000000708834
ZINC00708834
ZINC708834

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Available files

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