Vitas-M small molecule compound
2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-methoxyphenyl)acetamide
Catalog ID
STL193036
SMILES COc1ccccc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc2c(c1)OCCO2
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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 C21H19N5O6 MW 437.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O6/c1-30-14-5-3-2-4-13(14)22-17(27)11-25-19-18(23-24-25)20(28)26(21(19)29)12-6-7-15-16(10-12)32-9-8-31-15/h2-7,10,18-19H,8-9,11H2,1H3,(H,22,27)InChIKey
RKIWEYVLCSJPEV-UHFFFAOYSA-NSynonyms
2(5(23dihydro14benzodioxin6yl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(2methoxyphenyl)acetamide
2(5(23dihydro14benzodioxin6yl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(2methoxyphenyl)acetamide
COC1=CC=CC=C1NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC5=C(C=C4)OCCO5)N=N2
InChI=1SC21H19N5O6c13014532413(14)2217(27)11251918(232425)20(28)26(21(19)29)12671516(1012)32983115h27101819H8911H21H3(H2227)
MFCD22390855
ZINC000022765736
ZINC000101352885
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