Vitas-M small molecule compound
4-{6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Catalog ID
STK885105
SMILES COc1ccc(cc1)NC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)C(=O)O)ncn2
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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 C21H19N5O4 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4/c1-12-17(19(27)25-15-7-9-16(30-2)10-8-15)18(26-21(24-12)22-11-23-26)13-3-5-14(6-4-13)20(28)29/h3-11,18H,1-2H3,(H,25,27)(H,28,29)(H,22,23,24)InChIKey
TYTPBLMDVQNIMU-UHFFFAOYSA-NSynonyms
4(6((4methoxyphenyl)carbamoyl)5methyl17dihydro(124)triazolo(15a)pyrimidin7yl)benzoicacid
4(6((4methoxyphenyl)carbamoyl)5methyl47dihydro(124)triazolo(15a)pyrimidin7yl)benzoicacid
CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)C(=O)O)C(=O)NC4=CC=C(C=C4)OC
InChI=1SC21H19N5O4c11217(19(27)25157916(302)10815)18(2621(2412)22112326)133514(6413)20(28)29h31118H12H3(H2527)(H2829)(H222324)
MFCD15023524
ZINC000021089807
ZINC000021089812
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