Vitas-M small molecule compound
methyl 3-{[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}-4-methoxybenzoate
Catalog ID
STL081471
SMILES COc1ccc(cc1CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)OC)C(=O)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 C21H19ClN4O6 MW 458.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O6/c1-30-15-6-4-11(21(29)32-3)8-12(15)10-25-18-17(23-24-25)19(27)26(20(18)28)13-5-7-16(31-2)14(22)9-13/h4-9,17-18H,10H2,1-3H3InChIKey
KBXZXOYSHYXPTP-UHFFFAOYSA-NSynonyms
1052604-94-01052604940
COC1=C(C=C(C=C1)C(=O)OC)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2
InChI=1SC21H19ClN4O6c130156411(21(29)323)812(15)10251817(232425)19(27)26(20(18)28)135716(312)14(22)913h491718H10H213H3
methyl3((5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)methyl)4methoxybenzoate
methyl3((5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)methyl)4methoxybenzoate
MFCD07655837
ZINC000009837411
ZINC000101168605
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