Vitas-M small molecule compound

5-phenyl-1-[4-(propan-2-yl)benzyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Catalog ID
STL081458
SMILES CC(c1ccc(cc1)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1)C

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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 C20H20N4O2 MW 348.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2/c1-13(2)15-10-8-14(9-11-15)12-23-18-17(21-22-23)19(25)24(20(18)26)16-6-4-3-5-7-16/h3-11,13,17-18H,12H2,1-2H3
InChIKey
KRFUMRWDJXJWDX-UHFFFAOYSA-N
Synonyms

1(4ISOPROPYLBENZYL)5PHENYL3A6ADIHYDROPYRROLO(34D)(123)TRIAZOLE46(1H5H)DIONE
5phenyl1(4(propan2yl)benzyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5phenyl3((4propan2ylphenyl)methyl)3a6adihydropyrrolo(34d)triazole46dione
CC(C)C1=CC=C(C=C1)CN2C3C(C(=O)N(C3=O)C4=CC=CC=C4)N=N2
InChI=1SC20H20N4O2c113(2)1510814(91115)12231817(212223)19(25)24(20(18)26)166435716h311131718H12H212H3
MFCD14757236
ZINC000006770284
ZINC000101417292

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Available files

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