Vitas-M small molecule compound

2-[(cyanoacetyl)amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK800684
SMILES N#CCC(=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2

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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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c18-8-7-14(21)20-17-15(12-5-1-2-6-13(12)24-17)16(22)19-10-11-4-3-9-23-11/h11H,1-7,9-10H2,(H,19,22)(H,20,21)
InChIKey
IHJKZTCETCCZET-UHFFFAOYSA-N
Synonyms
879909-61-2
2((2cyanoacetyl)amino)N(oxolan2ylmethyl)4567tetrahydro1benzothiophene3carboxamide
2((cyanoacetyl)amino)N(tetrahydrofuran2ylmethyl)4567tetrahydro1benzothiophene3carboxamide
879909612
C1CCC2=C(C1)C(=C(S2)NC(=O)CC#N)C(=O)NCC3CCCO3
InChI=1SC17H21N3O3Sc188714(21)201715(12512613(12)2417)16(22)1910114392311h11H17910H2(H1922)(H2021)
MFCD04447163
ZINC000016735860
ZINC000016735862

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Available files

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