Vitas-M small molecule compound

methyl 2-({oxo[(pyridin-4-ylmethyl)amino]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK616376
SMILES COC(=O)c1c(NC(=O)C(=O)NCc2ccncc2)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 C18H19N3O4S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4S/c1-25-18(24)14-12-4-2-3-5-13(12)26-17(14)21-16(23)15(22)20-10-11-6-8-19-9-7-11/h6-9H,2-5,10H2,1H3,(H,20,22)(H,21,23)
InChIKey
ZMMQRYBJRUQRLE-UHFFFAOYSA-N
Synonyms
839681-00-4
839681004
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NCC3=CC=NC=C3
InChI=1SC18H19N3O4Sc12518(24)1412423513(12)2617(14)2116(23)15(22)20101168199711h69H2510H21H3(H2022)(H2123)
methyl2((2oxo2(pyridin4ylmethylamino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((oxo((pyridin4ylmethyl)amino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2oxo2((pyridin4ylmethyl)amino)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD06635393
ZINC000004865804
ZINC04865804
ZINC4865804

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Available files

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