Vitas-M small molecule compound

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

Catalog ID
STK474964
SMILES COC(=O)c1c(NC(=O)CSc2ncccn2)sc2c1CCC(C2)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 C17H19N3O3S2 MW 377.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O3S2/c1-10-4-5-11-12(8-10)25-15(14(11)16(22)23-2)20-13(21)9-24-17-18-6-3-7-19-17/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,20,21)
InChIKey
HUFNNYCJNHMCQG-UHFFFAOYSA-N
Synonyms

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=NC=CC=N3
InChI=1SC17H19N3O3S2c110451112(810)2515(14(11)16(22)232)2013(21)92417186371917h36710H4589H212H3(H2021)
methyl6methyl2(((pyrimidin2ylsulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2((2pyrimidin2ylsulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06079298
ZINC000006730543
ZINC000006730545

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Available files

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