Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-methylbenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(2-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK187620
SMILES COc1ccccc1/C=C/C(=O)n1nc(nc1NCc1ccc(cc1)C)NCc1ccc(cc1)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 C28H29N5O2 MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2/c1-20-8-12-22(13-9-20)18-29-27-31-28(30-19-23-14-10-21(2)11-15-23)33(32-27)26(34)17-16-24-6-4-5-7-25(24)35-3/h4-17H,18-19H2,1-3H3,(H2,29,30,31,32)/b17-16+InChIKey
TWEDSVUYEFJQJE-WUKNDPDISA-NSynonyms
(2E)1(35BIS((4METHYLBENZYL)AMINO)1H124TRIAZOL1YL)3(2METHOXYPHENYL)PROP2EN1ONE
(E)1(35bis((4methylphenyl)methylamino)124triazol1yl)3(2methoxyphenyl)prop2en1one
CC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)C)C(=O)C=CC4=CC=CC=C4OC
COc1ccccc1C=CC(=O)n1nc(nc1NCc1ccc(cc1)C)NCc1ccc(cc1)C
InChI=1SC28H29N5O2c12081222(13920)1829273128(301923141021(2)111523)33(3227)26(34)171624645725(24)353h417H1819H213H3(H229303132)b1716+
MFCD06664594
ZINC000009907544
ZINC09907544
ZINC9907544
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