Vitas-M small molecule compound

ethyl 2-[({[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-methylthiophene-3-carboxylate

Catalog ID
STK467750
SMILES CCOC(=O)c1cc(sc1NC(=O)CSc1nnc(n1CC)c1ccccn1)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 C19H21N5O3S2 MW 431.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O3S2/c1-4-24-16(14-8-6-7-9-20-14)22-23-19(24)28-11-15(25)21-17-13(10-12(3)29-17)18(26)27-5-2/h6-10H,4-5,11H2,1-3H3,(H,21,25)
InChIKey
LXTJOVVGNAAJNM-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(S2)C)C(=O)OCC)C3=CC=CC=N3
ethyl2((((4ethyl5(pyridin2yl)4H124triazol3yl)sulfanyl)acetyl)amino)5methylthiophene3carboxylate
ethyl2((2((4ethyl5pyridin2yl124triazol3yl)sulfanyl)acetyl)amino)5methylthiophene3carboxylate
ETHYL2(2(4ETHYL5(2PYRIDYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC19H21N5O3S2c142416(1486792014)222319(24)281115(25)211713(1012(3)2917)18(26)2752h610H4511H213H3(H2125)
MFCD06147066
ZINC000017097610
ZINC17097610

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Available files

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