Vitas-M small molecule compound

propan-2-yl 4-cyano-5-[(2-ethylbutanoyl)amino]-3-methylthiophene-2-carboxylate

Catalog ID
STK448763
SMILES CCC(C(=O)Nc1sc(c(c1C#N)C)C(=O)OC(C)C)CC

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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 C16H22N2O3S MW 322.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O3S/c1-6-11(7-2)14(19)18-15-12(8-17)10(5)13(22-15)16(20)21-9(3)4/h9,11H,6-7H2,1-5H3,(H,18,19)
InChIKey
UFJOZARCSGAWNW-UHFFFAOYSA-N
Synonyms
541544-99-4
541544994
CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C#N
InChI=1SC16H22N2O3Sc1611(72)14(19)181512(817)10(5)13(2215)16(20)219(3)4h911H67H215H3(H1819)
MFCD01921306
propan2yl4cyano5((2ethylbutanoyl)amino)3methylthiophene2carboxylate
PROPAN2YL4CYANO5(2ETHYLBUTANOYLAMINO)3METHYLTHIOPHENE2CARBOXYLATE
ZINC000002748057
ZINC02748057
ZINC2748057

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Available files

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