Vitas-M small molecule compound
(2E)-1-{3,5-bis[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}-3-(2-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK192282
SMILES COc1ccccc1/C=C/C(=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 C22H21N5O2S2 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2S2/c1-29-19-9-3-2-6-16(19)10-11-20(28)27-22(24-15-18-8-5-13-31-18)25-21(26-27)23-14-17-7-4-12-30-17/h2-13H,14-15H2,1H3,(H2,23,24,25,26)/b11-10+InChIKey
JQBQXXBLPDWVGV-ZHACJKMWSA-NSynonyms
(2E)1(35BIS((THIOPHEN2YLMETHYL)AMINO)1H124TRIAZOL1YL)3(2METHOXYPHENYL)PROP2EN1ONE
(E)1(35bis(thiophen2ylmethylamino)124triazol1yl)3(2methoxyphenyl)prop2en1one
COC1=CC=CC=C1C=CC(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4
COc1ccccc1C=CC(=O)n1nc(nc1NCc1cccs1)NCc1cccs1
InChI=1SC22H21N5O2S2c12919932616(19)101120(28)2722(24151885133118)2521(2627)23141774123017h213H1415H21H3(H223242526)b1110+
MFCD06665531
ZINC000009933351
ZINC09933351
ZINC9933351
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