Vitas-M small molecule compound
1-{5-[(4-methoxybenzyl)amino]-3-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}-2-phenoxyethanone
Catalog ID
STK246527
SMILES COc1ccc(cc1)CNc1nc(nn1C(=O)COc1ccccc1)c1cccs1
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-28-17-11-9-16(10-12-17)14-23-22-24-21(19-8-5-13-30-19)25-26(22)20(27)15-29-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,23,24,25)InChIKey
AIHYFOUUJDRDPE-UHFFFAOYSA-NSynonyms
1(5((4methoxybenzyl)amino)3(thiophen2yl)1H124triazol1yl)2phenoxyethanone
1(5((4methoxyphenyl)methylamino)3thiophen2yl124triazol1yl)2phenoxyethanone
COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CC=CS4
InChI=1SC22H20N4O3Sc1281711916(101217)1423222421(1985133019)2526(22)20(27)1529186324718h213H1415H21H3(H232425)
MFCD08685143
ZINC000009667644
ZINC09667644
ZINC9667644
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