Vitas-M small molecule compound

2-methyl-1-{3-(4-methylphenyl)-5-[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}propan-1-one

Catalog ID
STK211631
SMILES Cc1ccc(cc1)c1nn(c(n1)NCc1cccs1)C(=O)C(C)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 C18H20N4OS MW 340.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4OS/c1-12(2)17(23)22-18(19-11-15-5-4-10-24-15)20-16(21-22)14-8-6-13(3)7-9-14/h4-10,12H,11H2,1-3H3,(H,19,20,21)
InChIKey
IMSLVEKFOJSPDJ-UHFFFAOYSA-N
Synonyms

2METHYL1(3(4METHYLPHENYL)5((THIOPHEN2YLMETHYL)AMINO)1H124TRIAZOL1YL)PROPAN1ONE
2METHYL1(3(4METHYLPHENYL)5(THIOPHEN2YLMETHYLAMINO)124TRIAZOL1YL)PROPAN1ONE
CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C(C)C
InChI=1SC18H20N4OSc112(2)17(23)2218(19111554102415)2016(2122)148613(3)7914h41012H11H213H3(H192021)
MFCD08671595
ZINC000004777282
ZINC04777282
ZINC4777282

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Available files

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