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-methylphenyl)acetamide
Catalog ID
STL081311
SMILES COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1ccccc1C
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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 C20H18ClN5O4 MW 427.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O4/c1-11-5-3-4-6-14(11)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)12-7-8-15(30-2)13(21)9-12/h3-9,17-18H,10H2,1-2H3,(H,22,27)InChIKey
NZNOGCTUPMFIKR-UHFFFAOYSA-NSynonyms
1052605-44-31052605443
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(2methylphenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(2methylphenyl)acetamide
CC1=CC=CC=C1NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2
InChI=1SC20H18ClN5O4c111534614(11)2216(27)10251817(232425)19(28)26(20(18)29)127815(302)13(21)912h391718H10H212H3(H2227)
MFCD07655874
ZINC000009674919
ZINC000101168772
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