Vitas-M small molecule compound
[5-(4-{[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetyl]amino}phenyl)-2H-tetrazol-2-yl]acetic acid
Catalog ID
STL424176
SMILES COc1c(OC)ccc2c1C(=O)OC2CC(=O)Nc1ccc(cc1)c1nnn(n1)CC(=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 C21H19N5O7 MW 453.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O7/c1-31-14-8-7-13-15(33-21(30)18(13)19(14)32-2)9-16(27)22-12-5-3-11(4-6-12)20-23-25-26(24-20)10-17(28)29/h3-8,15H,9-10H2,1-2H3,(H,22,27)(H,28,29)InChIKey
DIYLMYKRKYJYGE-UHFFFAOYSA-NSynonyms
1630861-98-1(5(4(((45dimethoxy3oxo13dihydro2benzofuran1yl)acetyl)amino)phenyl)2Htetrazol2yl)aceticacid
1630861981
2(5(4((2(45dimethoxy3oxo1H2benzofuran1yl)acetyl)amino)phenyl)tetrazol2yl)aceticacid
2(5(4(2(45dimethoxy3oxo13dihydroisobenzofuran1yl)acetamido)phenyl)2Htetrazol2yl)aceticacid
COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)NC3=CC=C(C=C3)C4=NN(N=N4)CC(=O)O)OC
InChI=1SC21H19N5O7c13114871315(3321(30)18(13)19(14)322)916(27)22125311(4612)20232526(2420)1017(28)29h3815H910H212H3(H2227)(H2829)
MFCD28368147
ZINC000218374581
ZINC000218374660
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