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-(2,4-difluorophenyl)acetamide
Catalog ID
STL081328
SMILES COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1ccc(cc1F)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 C19H14ClF2N5O4 MW 449.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClF2N5O4/c1-31-14-5-3-10(7-11(14)20)27-18(29)16-17(19(27)30)26(25-24-16)8-15(28)23-13-4-2-9(21)6-12(13)22/h2-7,16-17H,8H2,1H3,(H,23,28)InChIKey
IPEPFJGXJIVCPH-UHFFFAOYSA-NSynonyms
1052606-38-81052606388
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(24difluorophenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(24difluorophenyl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=C(C=C(C=C4)F)F)Cl
InChI=1SC19H14ClF2N5O4c131145310(711(14)20)2718(29)1617(19(27)30)26(252416)815(28)2313429(21)612(13)22h271617H8H21H3(H2328)
MFCD07655890
ZINC000009675059
ZINC000101388597
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