Vitas-M small molecule compound
(2E)-1-{5-[(3-chlorobenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}-3-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK227620
SMILES COc1ccc(cc1)/C=C/C(=O)n1nc(nc1NCc1cccc(c1)Cl)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 C24H20ClN5O2 MW 445.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN5O2/c1-32-21-10-7-17(8-11-21)9-12-22(31)30-24(27-15-18-4-2-6-20(25)14-18)28-23(29-30)19-5-3-13-26-16-19/h2-14,16H,15H2,1H3,(H,27,28,29)/b12-9+InChIKey
GCDHWERTMOCOCX-FMIVXFBMSA-NSynonyms
(2E)1(5((3CHLOROBENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)3(4METHOXYPHENYL)PROP2EN1ONE
(E)1(5((3chlorophenyl)methylamino)3pyridin3yl124triazol1yl)3(4methoxyphenyl)prop2en1one
COC1=CC=C(C=C1)C=CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)Cl
COc1ccc(cc1)C=CC(=O)n1nc(nc1NCc1cccc(c1)Cl)c1cccnc1
InChI=1SC24H20ClN5O2c1322110717(81121)91222(31)3024(27151842620(25)1418)2823(2930)195313261619h21416H15H21H3(H272829)b129+
MFCD08671697
ZINC000009288840
ZINC09288840
ZINC9288840
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