Vitas-M small molecule compound
N-(5-chloro-2,4-dimethoxyphenyl)-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
STL141728
SMILES COc1cc(OC)c(cc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)OC)OC)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 C22H22ClN5O7 MW 503.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O7/c1-32-14-6-5-11(7-17(14)35-4)28-21(30)19-20(22(28)31)27(26-25-19)10-18(29)24-13-8-12(23)15(33-2)9-16(13)34-3/h5-9,19-20H,10H2,1-4H3,(H,24,29)InChIKey
APNNFEGALBKCDV-UHFFFAOYSA-NSynonyms
1052555-91-51052555915
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC(=C(C=C4OC)OC)Cl)OC
InChI=1SC22H22ClN5O7c132146511(717(14)354)2821(30)1920(22(28)31)27(262519)1018(29)2413812(23)15(332)916(13)343h591920H10H214H3(H2429)
MFCD08569143
N(5chloro24dimethoxyphenyl)2(5(34dimethoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(5chloro24dimethoxyphenyl)2(5(34dimethoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000008757008
ZINC000101390254
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