Vitas-M small molecule compound

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

Catalog ID
STK178870
SMILES COc1ccccc1CNc1nc(nn1C(=O)/C=C/c1ccccc1OC)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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-35-23-13-7-4-10-20(23)16-17-26(34)33-28(30-19-22-12-6-9-15-25(22)37-3)31-27(32-33)29-18-21-11-5-8-14-24(21)36-2/h4-17H,18-19H2,1-3H3,(H2,29,30,31,32)/b17-16+
InChIKey
JLZMRTSZYKSMEI-WUKNDPDISA-N
Synonyms

(2E)1(35BIS((2METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(2METHOXYPHENYL)PROP2EN1ONE
(E)1(35bis((2methoxyphenyl)methylamino)124triazol1yl)3(2methoxyphenyl)prop2en1one
COC1=CC=CC=C1CNC2=NN(C(=N2)NCC3=CC=CC=C3OC)C(=O)C=CC4=CC=CC=C4OC
COc1ccccc1CNc1nc(nn1C(=O)C=Cc1ccccc1OC)NCc1ccccc1OC
InChI=1SC28H29N5O4c1352313741020(23)161726(34)3328(30192212691525(22)373)3127(3233)29182111581424(21)362h417H1819H213H3(H229303132)b1716+
MFCD06663943
ZINC000009948511
ZINC09948511
ZINC9948511

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Available files

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