Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-methylbenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK187619
SMILES COc1ccc(cc1)/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/c1-20-4-8-23(9-5-20)18-29-27-31-28(30-19-24-10-6-21(2)7-11-24)33(32-27)26(34)17-14-22-12-15-25(35-3)16-13-22/h4-17H,18-19H2,1-3H3,(H2,29,30,31,32)/b17-14+InChIKey
JIRRKDJSRWBRJC-SAPNQHFASA-NSynonyms
(2E)1(35BIS((4METHYLBENZYL)AMINO)1H124TRIAZOL1YL)3(4METHOXYPHENYL)PROP2EN1ONE
(E)1(35bis((4methylphenyl)methylamino)124triazol1yl)3(4methoxyphenyl)prop2en1one
CC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)C)C(=O)C=CC4=CC=C(C=C4)OC
COc1ccc(cc1)C=CC(=O)n1nc(nc1NCc1ccc(cc1)C)NCc1ccc(cc1)C
InChI=1SC28H29N5O2c1204823(9520)1829273128(30192410621(2)71124)33(3227)26(34)171422121525(353)161322h417H1819H213H3(H229303132)b1714+
MFCD06664593
ZINC000009907543
ZINC09907543
ZINC9907543
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