Vitas-M small molecule compound
4-{[5,7-bis(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK648640
SMILES O=C(Nc1nn2c(=NC(=CC2c2ccc(cc2)Cl)c2ccc(cc2)Cl)[nH]1)CCC(=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 C21H17Cl2N5O3 MW 458.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N5O3/c22-14-5-1-12(2-6-14)16-11-17(13-3-7-15(23)8-4-13)28-21(24-16)26-20(27-28)25-18(29)9-10-19(30)31/h1-8,11,17H,9-10H2,(H,30,31)(H2,24,25,26,27,29)InChIKey
BPAOPNXGYUMKDW-UHFFFAOYSA-NSynonyms
836629-66-44((57BIS(4CHLOROPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)AMINO)4OXOBUTANOICACID
4((57bis(4chlorophenyl)37dihydro(124)triazolo(15a)pyrimidin2yl)amino)4oxobutanoicacid
836629664
C1=CC(=CC=C1C2C=C(N=C3N2NC(=N3)NC(=O)CCC(=O)O)C4=CC=C(C=C4)Cl)Cl
InChI=1SC21H17Cl2N5O3c22145112(2614)161117(133715(23)8413)2821(2416)2620(2728)2518(29)91019(30)31h181117H910H2(H3031)(H22425262729)
MFCD18164975
O=C(Nc1nn2c(=NC(=CC2c2ccc(cc2)Cl)c2ccc(cc2)Cl)(nH)1)CCC(=O)O
ZINC000002250866
ZINC000002250867
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