Vitas-M small molecule compound
N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL094821
SMILES COc1cc(OC)c(cc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)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 C20H17Cl2N5O5 MW 478.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N5O5/c1-31-14-8-15(32-2)13(7-12(14)22)23-16(28)9-26-18-17(24-25-26)19(29)27(20(18)30)11-5-3-10(21)4-6-11/h3-8,17-18H,9H2,1-2H3,(H,23,28)InChIKey
YETHGPXLEZDVKA-UHFFFAOYSA-NSynonyms
COC1=CC(=C(C=C1NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)N=N2)Cl)OC
InChI=1SC20H17Cl2N5O5c13114815(322)13(712(14)22)2316(28)9261817(242526)19(29)27(20(18)30)115310(21)4611h381718H9H212H3(H2328)
MFCD14749770
N(5chloro24dimethoxyphenyl)2(5(4chlorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(5chloro24dimethoxyphenyl)2(5(4chlorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000009674645
ZINC000101387498
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