Vitas-M small molecule compound

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

Catalog ID
STK428338
SMILES COC(=O)c1c(NC(=O)c2cccc(c2)F)sc2c1CCC(C2)C

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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 C18H18FNO3S MW 347.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FNO3S/c1-10-6-7-13-14(8-10)24-17(15(13)18(22)23-2)20-16(21)11-4-3-5-12(19)9-11/h3-5,9-10H,6-8H2,1-2H3,(H,20,21)
InChIKey
BEUPHCIEQJCRAZ-UHFFFAOYSA-N
Synonyms
5537-95-1
5537951
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)F
InChI=1SC18H18FNO3Sc110671314(810)2417(15(13)18(22)232)2016(21)1143512(19)911h35910H68H212H3(H2021)
methyl2(((3fluorophenyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((3fluorobenzoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD01247519
ZINC000000035599
ZINC000000035600

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Available files

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