Vitas-M small molecule compound
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(5-fluoro-2-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129748
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1cc(F)ccc1C)Nc1ccc2c(c1)OCO2
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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 C20H18FN5O4 MW 411.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN5O4/c1-11-3-4-13(21)7-15(11)23-20(28)19-12(2)26(25-24-19)9-18(27)22-14-5-6-16-17(8-14)30-10-29-16/h3-8H,9-10H2,1-2H3,(H,22,27)(H,23,28)InChIKey
CNSMKNAUQRQDJM-UHFFFAOYSA-NSynonyms
1(2(13benzodioxol5ylamino)2oxoethyl)N(5fluoro2methylphenyl)5methyl1H123triazole4carboxamide
1(2(13benzodioxol5ylamino)2oxoethyl)N(5fluoro2methylphenyl)5methyltriazole4carboxamide
CC1=C(C=C(C=C1)F)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4)C
InChI=1SC20H18FN5O4c1113413(21)715(11)2320(28)1912(2)26(252419)918(27)2214561617(814)30102916h38H910H212H3(H2227)(H2328)
MFCD20747823
ZINC000067322829
ZINC67322829
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