Vitas-M small molecule compound
N-(2-chloro-4-methylphenyl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL081364
SMILES O=C(Nc1ccc(cc1Cl)C)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)F)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 C19H14ClF2N5O3 MW 433.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClF2N5O3/c1-9-2-5-14(11(20)6-9)23-15(28)8-26-17-16(24-25-26)18(29)27(19(17)30)10-3-4-12(21)13(22)7-10/h2-7,16-17H,8H2,1H3,(H,23,28)InChIKey
WOKMULVKYFUXJI-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)F)N=N2)Cl
InChI=1SC19H14ClF2N5O3c192514(11(20)69)2315(28)8261716(242526)18(29)27(19(17)30)103412(21)13(22)710h271617H8H21H3(H2328)
MFCD08141337
N(2chloro4methylphenyl)2(5(34difluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(2chloro4methylphenyl)2(5(34difluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000010273281
ZINC000101389101
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