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-fluorophenyl)acetamide
Catalog ID
STL081316
SMILES COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1cccc(c1)F
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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 C19H15ClFN5O4 MW 431.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClFN5O4/c1-30-14-6-5-12(8-13(14)20)26-18(28)16-17(19(26)29)25(24-23-16)9-15(27)22-11-4-2-3-10(21)7-11/h2-8,16-17H,9H2,1H3,(H,22,27)InChIKey
NJPSNMPAABTJEO-UHFFFAOYSA-NSynonyms
1052605-95-41052605954
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(3fluorophenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(3fluorophenyl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC(=CC=C4)F)Cl
InChI=1SC19H15ClFN5O4c130146512(813(14)20)2618(28)1617(19(26)29)25(242316)915(27)221142310(21)711h281617H9H21H3(H2227)
MFCD07655879
ZINC000009674953
ZINC000101168837
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