Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(2-chlorophenyl)prop-2-en-1-one
Catalog ID
STK178845
SMILES COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)/C=C/c1ccccc1Cl
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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 C27H26ClN5O3 MW 503.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O3/c1-35-22-12-7-19(8-13-22)17-29-26-31-27(30-18-20-9-14-23(36-2)15-10-20)33(32-26)25(34)16-11-21-5-3-4-6-24(21)28/h3-16H,17-18H2,1-2H3,(H2,29,30,31,32)/b16-11+InChIKey
NKFHQFGAXKOEFY-LFIBNONCSA-NSynonyms
(2E)1(35BIS((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(2CHLOROPHENYL)PROP2EN1ONE
(E)1(35bis((4methoxyphenyl)methylamino)124triazol1yl)3(2chlorophenyl)prop2en1one
COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)C=CC4=CC=CC=C4Cl
COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)C=Cc1ccccc1Cl
InChI=1SC27H26ClN5O3c1352212719(81322)1729263127(30182091423(362)151020)33(3226)25(34)161121534624(21)28h316H1718H212H3(H229303132)b1611+
MFCD06663921
ZINC000009948486
ZINC09948486
ZINC9948486
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