Vitas-M small molecule compound

methyl 4-(4-methylphenyl)-2-{[(pyridin-2-ylsulfanyl)acetyl]amino}thiophene-3-carboxylate

Catalog ID
STK467816
SMILES COC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)CSc1ccccn1

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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 C20H18N2O3S2 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3S2/c1-13-6-8-14(9-7-13)15-11-27-19(18(15)20(24)25-2)22-16(23)12-26-17-5-3-4-10-21-17/h3-11H,12H2,1-2H3,(H,22,23)
InChIKey
WXDRADXYRIWNOQ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=N3
InChI=1SC20H18N2O3S2c1136814(9713)15112719(18(15)20(24)252)2216(23)122617534102117h311H12H212H3(H2223)
methyl4(4methylphenyl)2(((pyridin2ylsulfanyl)acetyl)amino)thiophene3carboxylate
methyl4(4methylphenyl)2((2pyridin2ylsulfanylacetyl)amino)thiophene3carboxylate
METHYL4(4METHYLPHENYL)2(2(2PYRIDYLTHIO)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD06079271
ZINC000017081548
ZINC17081548

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Available files

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