Vitas-M small molecule compound

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

Catalog ID
STK958705
SMILES COC(=O)c1c(NC(=O)c2cc(F)cc(c2)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 C18H17F2NO3S MW 365.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F2NO3S/c1-24-18(23)15-13-5-3-2-4-6-14(13)25-17(15)21-16(22)10-7-11(19)9-12(20)8-10/h7-9H,2-6H2,1H3,(H,21,22)
InChIKey
OOVSXEXCADTNCB-UHFFFAOYSA-N
Synonyms
445284-34-4
445284344
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC(=C3)F)F
InChI=1SC18H17F2NO3Sc12418(23)15135324614(13)2517(15)2116(22)10711(19)912(20)810h79H26H21H3(H2122)
methyl2(((35difluorophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((35difluorobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD02371419
ZINC000000672738
ZINC00672738
ZINC672738

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Available files

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