Vitas-M small molecule compound

diethyl 1-{2-[3-(naphthalen-1-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate

Catalog ID
STL175910
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C(CC1c1ccccc1)c1cccc2c1cccc2

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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 C29H27N5O5 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O5/c1-3-38-28(36)26-27(29(37)39-4-2)33(32-30-26)18-25(35)34-24(20-12-6-5-7-13-20)17-23(31-34)22-16-10-14-19-11-8-9-15-21(19)22/h5-16,24H,3-4,17-18H2,1-2H3
InChIKey
KKDZYPYJTQYQMS-UHFFFAOYSA-N
Synonyms
438228-01-4
438228014
CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(CC(=N2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC
DIETHYL1(2(3(1NAPHTHYL)5PHENYL45DIHYDRO1HPYRAZOL1YL)2OXOETHYL)1H123TRIAZOLE45DICARBOXYLATE
diethyl1(2(3(naphthalen1yl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)1H123triazole45dicarboxylate
DIETHYL1(2(5NAPHTHALEN1YL3PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
InChI=1SC29H27N5O5c133828(36)2627(29(37)3942)33(323026)1825(35)3424(20126571320)1723(3134)221610141911891521(19)22h51624H341718H212H3
MFCD03466624
ZINC000000651225
ZINC000000651227

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Available files

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