Vitas-M small molecule compound

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

Catalog ID
STK448036
SMILES CCCOC(=O)c1c(NC(=O)CC#N)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 C16H20N2O3S MW 320.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O3S/c1-3-8-21-16(20)14-11-5-4-10(2)9-12(11)22-15(14)18-13(19)6-7-17/h10H,3-6,8-9H2,1-2H3,(H,18,19)
InChIKey
UYNDDSASGTUTGK-UHFFFAOYSA-N
Synonyms
574717-64-9
574717649
CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC#N
InChI=1SC16H20N2O3Sc1382116(20)14115410(2)912(11)2215(14)1813(19)6717h10H3689H212H3(H1819)
MFCD01337323
propyl2((2cyanoacetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propyl2((cyanoacetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000005468810
ZINC000005468813

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Available files

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