Vitas-M small molecule compound
(2E)-1-{3,5-bis[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}-3-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK192281
SMILES COc1ccc(cc1)/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/c1-29-17-9-6-16(7-10-17)8-11-20(28)27-22(24-15-19-5-3-13-31-19)25-21(26-27)23-14-18-4-2-12-30-18/h2-13H,14-15H2,1H3,(H2,23,24,25,26)/b11-8+InChIKey
IOZBFODQQURSQI-DHZHZOJOSA-NSynonyms
(2E)1(35BIS((THIOPHEN2YLMETHYL)AMINO)1H124TRIAZOL1YL)3(4METHOXYPHENYL)PROP2EN1ONE
(E)1(35bis(thiophen2ylmethylamino)124triazol1yl)3(4methoxyphenyl)prop2en1one
COC1=CC=C(C=C1)C=CC(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4
COc1ccc(cc1)C=CC(=O)n1nc(nc1NCc1cccs1)NCc1cccs1
InChI=1SC22H21N5O2S2c129179616(71017)81120(28)2722(24151953133119)2521(2627)23141842123018h213H1415H21H3(H223242526)b118+
MFCD06665530
ZINC000009933350
ZINC09933350
ZINC9933350
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