Vitas-M small molecule compound
N-(4-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL081399
SMILES COc1cc(ccc1OC)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1ccc(cc1)Cl
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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 C20H18ClN5O5 MW 443.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O5/c1-30-14-8-7-13(9-15(14)31-2)26-19(28)17-18(20(26)29)25(24-23-17)10-16(27)22-12-5-3-11(21)4-6-12/h3-9,17-18H,10H2,1-2H3,(H,22,27)InChIKey
QXTDQFHPEQLLPL-UHFFFAOYSA-NSynonyms
1052609-81-01052609810
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)Cl)OC
InChI=1SC20H18ClN5O5c130148713(915(14)312)2619(28)1718(20(26)29)25(242317)1016(27)22125311(21)4612h391718H10H212H3(H2227)
MFCD07656053
N(4chlorophenyl)2(5(34dimethoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(4chlorophenyl)2(5(34dimethoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000009675557
ZINC000101169807
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