Vitas-M small molecule compound

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

Catalog ID
STK413526
SMILES COC(=O)c1c(NC(=O)c2cccnc2)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)13-11-6-2-3-7-12(11)22-15(13)18-14(19)10-5-4-8-17-9-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)
InChIKey
YZEOWFRHFAPCKP-UHFFFAOYSA-N
Synonyms
301694-34-8
301694348
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CN=CC=C3
InChI=1SC16H16N2O3Sc12116(20)1311623712(11)2215(13)1814(19)1054817910h4589H2367H21H3(H1819)
methyl2((pyridin3ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(nicotinamido)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl2(pyridine3carbonylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD00781778
ZINC000000035545
ZINC00035545
ZINC35545

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Available files

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