Vitas-M small molecule compound
(2E)-1-{5-[(2-methoxybenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}-3-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK227729
SMILES COc1ccc(cc1)/C=C/C(=O)n1nc(nc1NCc1ccccc1OC)c1cccnc1
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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 C25H23N5O3 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3/c1-32-21-12-9-18(10-13-21)11-14-23(31)30-25(27-17-19-6-3-4-8-22(19)33-2)28-24(29-30)20-7-5-15-26-16-20/h3-16H,17H2,1-2H3,(H,27,28,29)/b14-11+InChIKey
SYILWMCMVQIMSP-SDNWHVSQSA-NSynonyms
(2E)1(5((2METHOXYBENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)3(4METHOXYPHENYL)PROP2EN1ONE
(E)3(4methoxyphenyl)1(5((2methoxyphenyl)methylamino)3pyridin3yl124triazol1yl)prop2en1one
COC1=CC=C(C=C1)C=CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CC=C4OC
COc1ccc(cc1)C=CC(=O)n1nc(nc1NCc1ccccc1OC)c1cccnc1
InChI=1SC25H23N5O3c1322112918(101321)111423(31)3025(271719634822(19)332)2824(2930)207515261620h316H17H212H3(H272829)b1411+
MFCD08671800
ZINC000009288941
ZINC09288941
ZINC9288941
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