Vitas-M small molecule compound
methyl 4-methoxy-3-{[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}benzoate
Catalog ID
STL081475
SMILES COc1ccc(cc1)N1C(=O)C2C(C1=O)N(N=N2)Cc1cc(ccc1OC)C(=O)OC
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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 C21H20N4O6 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O6/c1-29-15-7-5-14(6-8-15)25-19(26)17-18(20(25)27)24(23-22-17)11-13-10-12(21(28)31-3)4-9-16(13)30-2/h4-10,17-18H,11H2,1-3H3InChIKey
GOPDGSUGORSHJQ-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC4=C(C=CC(=C4)C(=O)OC)OC
InChI=1SC21H20N4O6c129157514(6815)2519(26)1718(20(25)27)24(232217)11131012(21(28)313)4916(13)302h4101718H11H213H3
methyl4methoxy3((5(4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)methyl)benzoate
methyl4methoxy3((5(4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)methyl)benzoate
MFCD14757267
ZINC000009837426
ZINC000101418019
Check stock
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Check stock on Vitas-MAvailable files
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