Vitas-M small molecule compound
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3,4-dimethoxyphenyl)acetamide
Catalog ID
STL081335
SMILES COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N(N=N2)CC(=O)Nc1ccc(c(c1)OC)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 C21H20ClN5O6 MW 473.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O6/c1-31-14-7-5-12(9-13(14)22)27-20(29)18-19(21(27)30)26(25-24-18)10-17(28)23-11-4-6-15(32-2)16(8-11)33-3/h4-9,18-19H,10H2,1-3H3,(H,23,28)InChIKey
SSZSQADPQIBHMC-UHFFFAOYSA-NSynonyms
1052607-09-61052607096
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(34dimethoxyphenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(34dimethoxyphenyl)acetamide
COC1=C(C=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2)OC
InChI=1SC21H20ClN5O6c131147512(913(14)22)2720(29)1819(21(27)30)26(252418)1017(28)23114615(322)16(811)333h491819H10H213H3(H2328)
MFCD07655896
ZINC000009675116
ZINC000101168982
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