Vitas-M small molecule compound

(2E)-1-{3,5-bis[(2-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(2-chlorophenyl)prop-2-en-1-one

Catalog ID
STK178869
SMILES COc1ccccc1CNc1nc(nn1C(=O)/C=C/c1ccccc1Cl)NCc1ccccc1OC

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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/c1-35-23-13-7-4-10-20(23)17-29-26-31-27(30-18-21-11-5-8-14-24(21)36-2)33(32-26)25(34)16-15-19-9-3-6-12-22(19)28/h3-16H,17-18H2,1-2H3,(H2,29,30,31,32)/b16-15+
InChIKey
CUGMLTFZHCFHNJ-FOCLMDBBSA-N
Synonyms

(2E)1(35BIS((2METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(2CHLOROPHENYL)PROP2EN1ONE
(E)1(35bis((2methoxyphenyl)methylamino)124triazol1yl)3(2chlorophenyl)prop2en1one
COC1=CC=CC=C1CNC2=NN(C(=N2)NCC3=CC=CC=C3OC)C(=O)C=CC4=CC=CC=C4Cl
COc1ccccc1CNc1nc(nn1C(=O)C=Cc1ccccc1Cl)NCc1ccccc1OC
InChI=1SC27H26ClN5O3c1352313741020(23)1729263127(30182111581424(21)362)33(3226)25(34)1615199361222(19)28h316H1718H212H3(H229303132)b1615+
MFCD06663942
ZINC000009948508
ZINC09948508
ZINC9948508

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Available files

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