Vitas-M small molecule compound
3-(4-fluorophenyl)-2-(methoxymethyl)-7-(3-methylbutyl)pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
Catalog ID
STL090443
SMILES COCc1nn2c(c1c1ccc(cc1)F)nnc1c2ccn(c1=O)CCC(C)C
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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 C21H22FN5O2 MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O2/c1-13(2)8-10-26-11-9-17-19(21(26)28)23-24-20-18(14-4-6-15(22)7-5-14)16(12-29-3)25-27(17)20/h4-7,9,11,13H,8,10,12H2,1-3H3InChIKey
VHBRAAYXXABKOM-UHFFFAOYSA-NSynonyms
3(4fluorophenyl)2(methoxymethyl)7(3methylbutyl)pyrazolo(51c)pyrido(43e)(124)triazin6(7H)one
CC(C)CCN1C=CC2=C(C1=O)N=NC3=C(C(=NN23)COC)C4=CC=C(C=C4)F
InChI=1SC21H22FN5O2c113(2)810261191719(21(26)28)23242018(144615(22)7514)16(12293)2527(17)20h4791113H81012H213H3
MFCD15196965
ZINC000040392090
ZINC40392090
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