Vitas-M small molecule compound

methyl 2-[(pyridin-4-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK413595
SMILES COC(=O)c1c(NC(=O)c2ccncc2)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 C16H16N2O3S MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3S/c1-21-16(20)13-11-4-2-3-5-12(11)22-15(13)18-14(19)10-6-8-17-9-7-10/h6-9H,2-5H2,1H3,(H,18,19)
InChIKey
OMFOGHQWBSSBSM-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=NC=C3
InChI=1SC16H16N2O3Sc12116(20)1311423512(11)2215(13)1814(19)1068179710h69H25H21H3(H1819)
methyl2((pyridin4ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(pyridine4carbonylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD00781764
ZINC000002592638
ZINC02592638
ZINC2592638

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Available files

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