Vitas-M small molecule compound
2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,4-dimethoxyphenyl)acetamide
Catalog ID
STL094815
SMILES COc1cc(OC)ccc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)Br
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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 C20H18BrN5O5 MW 488.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5O5/c1-30-13-7-8-14(15(9-13)31-2)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)12-5-3-11(21)4-6-12/h3-9,17-18H,10H2,1-2H3,(H,22,27)InChIKey
HZOFMYCUKWCKNO-UHFFFAOYSA-NSynonyms
2(5(4bromophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(24dimethoxyphenyl)acetamide
2(5(4bromophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(24dimethoxyphenyl)acetamide
COC1=CC(=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)N=N2)OC
InChI=1SC20H18BrN5O5c130137814(15(913)312)2216(27)10251817(232425)19(28)26(20(18)29)125311(21)4612h391718H10H212H3(H2227)
MFCD14749772
ZINC000009674751
ZINC000101387707
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