Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(2-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK169793
SMILES COc1ccccc1/C=C/C(=O)n1nc(nc1NCc1ccc(cc1)Cl)NCc1ccc(cc1)Cl
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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 C26H23Cl2N5O2 MW 508.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23Cl2N5O2/c1-35-23-5-3-2-4-20(23)10-15-24(34)33-26(30-17-19-8-13-22(28)14-9-19)31-25(32-33)29-16-18-6-11-21(27)12-7-18/h2-15H,16-17H2,1H3,(H2,29,30,31,32)/b15-10+InChIKey
AODBUCUGTCPMDR-XNTDXEJSSA-NSynonyms
(2E)1(35BIS((4CHLOROBENZYL)AMINO)1H124TRIAZOL1YL)3(2METHOXYPHENYL)PROP2EN1ONE
(E)1(35bis((4chlorophenyl)methylamino)124triazol1yl)3(2methoxyphenyl)prop2en1one
COC1=CC=CC=C1C=CC(=O)N2C(=NC(=N2)NCC3=CC=C(C=C3)Cl)NCC4=CC=C(C=C4)Cl
COc1ccccc1C=CC(=O)n1nc(nc1NCc1ccc(cc1)Cl)NCc1ccc(cc1)Cl
InChI=1SC26H23Cl2N5O2c13523532420(23)101524(34)3326(30171981322(28)14919)3125(3233)29161861121(27)12718h215H1617H21H3(H229303132)b1510+
MFCD06663330
ZINC000009847081
ZINC09847081
ZINC9847081
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