Vitas-M small molecule compound

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

Catalog ID
STK418902
SMILES CCCOC(=O)c1c(NC(=O)c2nccnc2)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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-3-8-24-18(23)15-12-5-4-11(2)9-14(12)25-17(15)21-16(22)13-10-19-6-7-20-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,22)
InChIKey
XWERDGBDTABQQG-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NC=CN=C3
InChI=1SC18H21N3O3Sc1382418(23)15125411(2)914(12)2517(15)2116(22)131019672013h671011H3589H212H3(H2122)
MFCD01342737
propyl6methyl2((pyrazin2ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl6methyl2(pyrazine2carbonylamino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002737341
ZINC000002737342

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Available files

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