Vitas-M small molecule compound
2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-phenoxyphenyl)acetamide
Catalog ID
STL094823
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1ccc(cc1)Oc1ccccc1
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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 C26H23N5O5 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5/c1-2-35-19-14-10-18(11-15-19)31-25(33)23-24(26(31)34)30(29-28-23)16-22(32)27-17-8-12-21(13-9-17)36-20-6-4-3-5-7-20/h3-15,23-24H,2,16H2,1H3,(H,27,32)InChIKey
CRFLPKDXODINNQ-UHFFFAOYSA-NSynonyms
2(5(4ethoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(4phenoxyphenyl)acetamide
2(5(4ethoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(4phenoxyphenyl)acetamide
CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5
InChI=1SC26H23N5O5c123519141018(111519)3125(33)2324(26(31)34)30(292823)1622(32)271781221(13917)36206435720h3152324H216H21H3(H2732)
MFCD14757221
ZINC000009835988
ZINC000101416922
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