Vitas-M small molecule compound
4-{[5-(4-chlorophenyl)-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STL045501
SMILES O=C(Nc1nn2c(=NC(=CC2c2ccccc2)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 C21H18ClN5O3 MW 423.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O3/c22-15-8-6-13(7-9-15)16-12-17(14-4-2-1-3-5-14)27-21(23-16)25-20(26-27)24-18(28)10-11-19(29)30/h1-9,12,17H,10-11H2,(H,29,30)(H2,23,24,25,26,28)InChIKey
CPIYMYCVLKAFBT-UHFFFAOYSA-NSynonyms
497232-00-54((5(4CHLOROPHENYL)7PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)AMINO)4OXOBUTANOICACID
4((5(4chlorophenyl)7phenyl37dihydro(124)triazolo(15a)pyrimidin2yl)amino)4oxobutanoicacid
497232005
C1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)CCC(=O)O)C4=CC=C(C=C4)Cl
InChI=1SC21H18ClN5O3c22158613(7915)161217(144213514)2721(2316)2520(2627)2418(28)101119(29)30h191217H1011H2(H2930)(H22324252628)
MFCD03796289
O=C(Nc1nn2c(=NC(=CC2c2ccccc2)c2ccc(cc2)Cl)(nH)1)CCC(=O)O
ZINC000002344407
ZINC000002344409
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