Vitas-M small molecule compound
ethyl 5-(1H-indol-3-yl)-4-[4-(morpholin-4-yl)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Catalog ID
STK723670
SMILES CCOC(=O)C1=NN(C(N1c1ccc(cc1)N1CCOCC1)c1c[nH]c2c1cccc2)c1ccccc1
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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 C29H29N5O3 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O3/c1-2-37-29(35)27-31-34(23-8-4-3-5-9-23)28(25-20-30-26-11-7-6-10-24(25)26)33(27)22-14-12-21(13-15-22)32-16-18-36-19-17-32/h3-15,20,28,30H,2,16-19H2,1H3InChIKey
IFHKSMSTWTUXMD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C(N1c1ccc(cc1)N1CCOCC1)c1c(nH)c2c1cccc2)c1ccccc1
CCOC(=O)C1=NN(C(N1C2=CC=C(C=C2)N3CCOCC3)C4=CNC5=CC=CC=C54)C6=CC=CC=C6
ETHYL3(1HINDOL3YL)4(4MORPHOLIN4YLPHENYL)2PHENYL3H124TRIAZOLE5CARBOXYLATE
ETHYL5(1HINDOL3YL)4(4(4MORPHOLINYL)PHENYL)1PHENYL45DIHYDRO1H124TRIAZOLE3CARBOXYLATE
ethyl5(1Hindol3yl)4(4(morpholin4yl)phenyl)1phenyl45dihydro1H124triazole3carboxylate
ethyl5(1Hindol3yl)4(4morpholinophenyl)1phenyl45dihydro1H124triazole3carboxylate
InChI=1SC29H29N5O3c123729(35)273134(238435923)28(2520302611761024(25)26)33(27)22141221(131522)32161836191732h315202830H21619H21H3
MFCD02234718
ZINC000008442942
ZINC000008442943
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