Vitas-M small molecule compound
2-methoxy-4-{5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl 2-fluorobenzoate
Catalog ID
STK322882
SMILES COc1cc(ccc1OC(=O)c1ccccc1F)C1C(=C(C)Nc2n1ncn2)C(=O)Nc1ccccc1C
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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 C28H24FN5O4 MW 513.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24FN5O4/c1-16-8-4-7-11-21(16)33-26(35)24-17(2)32-28-30-15-31-34(28)25(24)18-12-13-22(23(14-18)37-3)38-27(36)19-9-5-6-10-20(19)29/h4-15,25H,1-3H3,(H,33,35)(H,30,31,32)InChIKey
WRHASRICMJNMRQ-UHFFFAOYSA-NSynonyms
(2methoxy4(5methyl6((2methylphenyl)carbamoyl)17dihydro(124)triazolo(15a)pyrimidin7yl)phenyl)2fluorobenzoate
2methoxy4(5methyl6((2methylphenyl)carbamoyl)47dihydro(124)triazolo(15a)pyrimidin7yl)phenyl2fluorobenzoate
CC1=CC=CC=C1NC(=O)C2=C(N=C3N=CNN3C2C4=CC(=C(C=C4)OC(=O)C5=CC=CC=C5F)OC)C
InChI=1SC28H24FN5O4c1168471121(16)3326(35)2417(2)322830153134(28)25(24)18121322(23(1418)373)3827(36)199561020(19)29h41525H13H3(H3335)(H303132)
MFCD08578738
ZINC000009592555
ZINC000009592559
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