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-(2-ethylphenyl)acetamide

Catalog ID
STL081333
SMILES CCc1ccccc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)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 C21H20ClN5O4 MW 441.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4/c1-3-12-6-4-5-7-15(12)23-17(28)11-26-19-18(24-25-26)20(29)27(21(19)30)13-8-9-16(31-2)14(22)10-13/h4-10,18-19H,3,11H2,1-2H3,(H,23,28)
InChIKey
YPQAKBDAVJYAFS-UHFFFAOYSA-N
Synonyms
1052606-64-0
1052606640
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(2ethylphenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(2ethylphenyl)acetamide
CCC1=CC=CC=C1NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2
InChI=1SC21H20ClN5O4c1312645715(12)2317(28)11261918(242526)20(29)27(21(19)30)138916(312)14(22)1013h4101819H311H212H3(H2328)
MFCD07655894
ZINC000009675102
ZINC000101168965

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Available files

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