Vitas-M small molecule compound

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

Catalog ID
STK169745
SMILES COc1cccc(c1)CNc1nc(n(n1)C(=O)/C=C/c1ccccc1Cl)NCc1cccc(c1)OC

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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/c1-35-22-10-5-7-19(15-22)17-29-26-31-27(30-18-20-8-6-11-23(16-20)36-2)33(32-26)25(34)14-13-21-9-3-4-12-24(21)28/h3-16H,17-18H2,1-2H3,(H2,29,30,31,32)/b14-13+
InChIKey
LOVNWPYZOBVPOH-BUHFOSPRSA-N
Synonyms

(2E)1(35BIS((3METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(2CHLOROPHENYL)PROP2EN1ONE
(E)1(35bis((3methoxyphenyl)methylamino)124triazol1yl)3(2chlorophenyl)prop2en1one
COC1=CC=CC(=C1)CNC2=NN(C(=N2)NCC3=CC(=CC=C3)OC)C(=O)C=CC4=CC=CC=C4Cl
COc1cccc(c1)CNc1nc(n(n1)C(=O)C=Cc1ccccc1Cl)NCc1cccc(c1)OC
InChI=1SC27H26ClN5O3c13522105719(1522)1729263127(301820861123(1620)362)33(3226)25(34)1413219341224(21)28h316H1718H212H3(H229303132)b1413+
MFCD06663291
ZINC000009847052
ZINC09847052
ZINC9847052

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Available files

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