Vitas-M small molecule compound
4-(5-methyl-6-{[3-(trifluoromethyl)phenyl]carbamoyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
Catalog ID
STK884434
SMILES CC1=C(C(=O)Nc2cccc(c2)C(F)(F)F)C(n2c(N1)ncn2)c1ccc(cc1)C(=O)O
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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 C21H16F3N5O3 MW 443.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N5O3/c1-11-16(18(30)28-15-4-2-3-14(9-15)21(22,23)24)17(29-20(27-11)25-10-26-29)12-5-7-13(8-6-12)19(31)32/h2-10,17H,1H3,(H,28,30)(H,31,32)(H,25,26,27)InChIKey
PEVKRTOEXAEGJI-UHFFFAOYSA-NSynonyms
4(5methyl6((3(trifluoromethyl)phenyl)carbamoyl)17dihydro(124)triazolo(15a)pyrimidin7yl)benzoicacid
4(5methyl6((3(trifluoromethyl)phenyl)carbamoyl)47dihydro(124)triazolo(15a)pyrimidin7yl)benzoicacid
CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)C(=O)O)C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC21H16F3N5O3c11116(18(30)281542314(915)21(2223)24)17(2920(2711)25102629)125713(8612)19(31)32h21017H1H3(H2830)(H3132)(H252627)
MFCD18171470
ZINC000040484474
ZINC000040484476
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