Vitas-M small molecule compound
5-{[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-5-oxopentanoic acid
Catalog ID
STL044743
SMILES O=C(Nc1nn2c(=NC(=CC2c2ccc(cc2)F)c2ccc(cc2)Cl)[nH]1)CCCC(=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 C22H19ClFN5O3 MW 455.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClFN5O3/c23-15-8-4-13(5-9-15)17-12-18(14-6-10-16(24)11-7-14)29-22(25-17)27-21(28-29)26-19(30)2-1-3-20(31)32/h4-12,18H,1-3H2,(H,31,32)(H2,25,26,27,28,30)InChIKey
BWLNGFHALQBSQO-UHFFFAOYSA-NSynonyms
672916-02-85((5(4CHLOROPHENYL)7(4FLUOROPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)AMINO)5OXOPENTANOICACID
5((5(4chlorophenyl)7(4fluorophenyl)37dihydro(124)triazolo(15a)pyrimidin2yl)amino)5oxopentanoicacid
672916028
C1=CC(=CC=C1C2C=C(N=C3N2NC(=N3)NC(=O)CCCC(=O)O)C4=CC=C(C=C4)Cl)F
InChI=1SC22H19ClFN5O3c23158413(5915)171218(1461016(24)11714)2922(2517)2721(2829)2619(30)21320(31)32h41218H13H2(H3132)(H22526272830)
MFCD04075790
O=C(Nc1nn2c(=NC(=CC2c2ccc(cc2)F)c2ccc(cc2)Cl)(nH)1)CCCC(=O)O
ZINC000002253458
ZINC000002253459
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