Vitas-M small molecule compound
1-{3,5-bis[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}-2-(4-chlorophenoxy)ethanone
Catalog ID
STK187667
SMILES Clc1ccc(cc1)OCC(=O)n1nc(nc1NCc1cccs1)NCc1cccs1
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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 C20H18ClN5O2S2 MW 459.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O2S2/c21-14-5-7-15(8-6-14)28-13-18(27)26-20(23-12-17-4-2-10-30-17)24-19(25-26)22-11-16-3-1-9-29-16/h1-10H,11-13H2,(H2,22,23,24,25)InChIKey
DHJPESRHUPEDAQ-UHFFFAOYSA-NSynonyms
1(35BIS((THIOPHEN2YLMETHYL)AMINO)1H124TRIAZOL1YL)2(4CHLOROPHENOXY)ETHANONE
1(35bis(thiophen2ylmethylamino)124triazol1yl)2(4chlorophenoxy)ethanone
C1=CSC(=C1)CNC2=NN(C(=N2)NCC3=CC=CS3)C(=O)COC4=CC=C(C=C4)Cl
InChI=1SC20H18ClN5O2S2c21145715(8614)281318(27)2620(23121742103017)2419(2526)2211163192916h110H1113H2(H222232425)
MFCD06664630
ZINC000009907566
ZINC09907566
ZINC9907566
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