Vitas-M small molecule compound

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

Catalog ID
STK418609
SMILES COC(=O)c1c(NC(=O)c2nccnc2)sc2c1CCC(C2)C(C)(C)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 C19H23N3O3S MW 373.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O3S/c1-19(2,3)11-5-6-12-14(9-11)26-17(15(12)18(24)25-4)22-16(23)13-10-20-7-8-21-13/h7-8,10-11H,5-6,9H2,1-4H3,(H,22,23)
InChIKey
KEMYWPHEDQJEJH-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NC=CN=C3
InChI=1SC19H23N3O3Sc119(23)11561214(911)2617(15(12)18(24)254)2216(23)131020782113h781011H569H214H3(H2223)
methyl6tertbutyl2((pyrazin2ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(pyrazine2carbonylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD01648100
ZINC000000668540
ZINC000000668542

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Available files

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