Vitas-M small molecule compound

1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

Catalog ID
STL129661
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1ccccc1F)Nc1ccc2c(c1)OCCO2

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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/c1-12-19(20(28)23-15-5-3-2-4-14(15)21)24-25-26(12)11-18(27)22-13-6-7-16-17(10-13)30-9-8-29-16/h2-7,10H,8-9,11H2,1H3,(H,22,27)(H,23,28)
InChIKey
WCLUDMOPKNGOII-UHFFFAOYSA-N
Synonyms

1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)N(2fluorophenyl)5methyl1H123triazole4carboxamide
1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)N(2fluorophenyl)5methyltriazole4carboxamide
CC1=C(N=NN1CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC=C4F
InChI=1SC20H18FN5O4c11219(20(28)2315532414(15)21)242526(12)1118(27)2213671617(1013)30982916h2710H8911H21H3(H2227)(H2328)
MFCD20747513
ZINC000067322561
ZINC67322561

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Available files

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