Vitas-M small molecule compound

methyl 2-({[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK782760
SMILES COC(=O)c1ccccc1NC(=O)CSc1nc(C)cc(c1C#N)C

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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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-11-8-12(2)20-17(14(11)9-19)25-10-16(22)21-15-7-5-4-6-13(15)18(23)24-3/h4-8H,10H2,1-3H3,(H,21,22)
InChIKey
PMDFVBGKOGWVJX-UHFFFAOYSA-N
Synonyms
332949-61-8
332949618
CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=CC=C2C(=O)OC)C
InChI=1SC18H17N3O3Sc111812(2)2017(14(11)919)251016(22)2115754613(15)18(23)243h48H10H213H3(H2122)
methyl2((((3cyano46dimethylpyridin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2(3cyano46dimethylpyridin2yl)sulfanylacetyl)amino)benzoate
MFCD01807671
ZINC000000878207
ZINC00878207
ZINC878207

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Available files

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