Vitas-M small molecule compound

methyl 2-{[(4-fluorophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STL171083
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)F)sc2c1CCCCCC2

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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 C19H20FNO3S MW 361.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20FNO3S/c1-24-19(23)16-14-6-4-2-3-5-7-15(14)25-18(16)21-17(22)12-8-10-13(20)11-9-12/h8-11H,2-7H2,1H3,(H,21,22)
InChIKey
QUFJMBOPHRGVOL-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC=C(C=C3)F
InChI=1SC19H20FNO3Sc12419(23)161464235715(14)2518(16)2117(22)1281013(20)11912h811H27H21H3(H2122)
methyl2(((4fluorophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4fluorobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01449896
ZINC000000879638
ZINC00879638
ZINC879638

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Available files

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