Vitas-M small molecule compound
N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(4-ethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL094786
SMILES COc1cc(OC)c(cc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)CC)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 C22H22ClN5O5 MW 471.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O5/c1-4-12-5-7-13(8-6-12)28-21(30)19-20(22(28)31)27(26-25-19)11-18(29)24-15-9-14(23)16(32-2)10-17(15)33-3/h5-10,19-20H,4,11H2,1-3H3,(H,24,29)InChIKey
RSGAKJJKFFSUAD-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC(=C(C=C4OC)OC)Cl
InChI=1SC22H22ClN5O5c14125713(8612)2821(30)1920(22(28)31)27(262519)1118(29)2415914(23)16(322)1017(15)333h5101920H411H213H3(H2429)
MFCD14726350
N(5chloro24dimethoxyphenyl)2(5(4ethylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(5chloro24dimethoxyphenyl)2(5(4ethylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000101270430
ZINC000101270435
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