Vitas-M small molecule compound

ethyl 7-oxo-2-{[N-(prop-2-en-1-yl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK279964
SMILES C=CCNCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2=O

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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 C16H20N2O4S MW 336.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O4S/c1-3-8-17-9-12(20)18-15-13(16(21)22-4-2)10-6-5-7-11(19)14(10)23-15/h3,17H,1,4-9H2,2H3,(H,18,20)
InChIKey
OOHIKMIVYGTQMJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)CNCC=C
ETHYL7OXO2((2(PROP2ENYLAMINO)ACETYL)AMINO)56DIHYDRO4H1BENZOTHIOPHENE3CARBOXYLATE
ethyl7oxo2((N(prop2en1yl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC16H20N2O4Sc13817912(20)181513(16(21)2242)1065711(19)14(10)2315h317H149H22H3(H1820)
MFCD00395912
ZINC000003902226
ZINC3902226

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Available files

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