Vitas-M small molecule compound
methyl 4-({[5-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate
Catalog ID
STL079963
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1nc2n(c1=O)c(nc(c2)C)N1CCc2c(C1)cccc2
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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 C25H24N6O4 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N6O4/c1-16-13-21-28-30(15-22(32)27-20-9-7-18(8-10-20)23(33)35-2)25(34)31(21)24(26-16)29-12-11-17-5-3-4-6-19(17)14-29/h3-10,13H,11-12,14-15H2,1-2H3,(H,27,32)InChIKey
LOOWGTLTIGNDIW-UHFFFAOYSA-NSynonyms
CC1=CC2=NN(C(=O)N2C(=N1)N3CCC4=CC=CC=C4C3)CC(=O)NC5=CC=C(C=C5)C(=O)OC
InChI=1SC25H24N6O4c11613212830(1522(32)27209718(81020)23(33)352)25(34)31(21)24(2616)29121117534619(17)1429h31013H11121415H212H3(H2732)
methyl4(((5(34dihydroisoquinolin2(1H)yl)7methyl3oxo(124)triazolo(43c)pyrimidin2(3H)yl)acetyl)amino)benzoate
methyl4((2(5(34dihydro1Hisoquinolin2yl)7methyl3oxo(124)triazolo(43c)pyrimidin2yl)acetyl)amino)benzoate
MFCD18200729
ZINC000057505967
ZINC57505967
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