Vitas-M small molecule compound
4-{[({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)amino]methyl}benzoic acid
Catalog ID
STL153751
SMILES CSc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)NCc1ccc(cc1)C(=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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-29-17-8-6-15(7-9-17)18-10-11-20(26)24(23-18)13-19(25)22-12-14-2-4-16(5-3-14)21(27)28/h2-11H,12-13H2,1H3,(H,22,25)(H,27,28)InChIKey
BQRARQZAHAJQOC-UHFFFAOYSA-NSynonyms
1282142-70-41282142704
4((((3(4(methylsulfanyl)phenyl)6oxopyridazin1(6H)yl)acetyl)amino)methyl)benzoicacid
4(((2(3(4methylsulfanylphenyl)6oxopyridazin1yl)acetyl)amino)methyl)benzoicacid
4((2(3(4(methylthio)phenyl)6oxopyridazin1(6H)yl)acetamido)methyl)benzoicacid
CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3=CC=C(C=C3)C(=O)O
InChI=1SC21H19N3O4Sc129178615(7917)18101120(26)24(2318)1319(25)2212142416(5314)21(27)28h211H1213H21H3(H2225)(H2728)
MFCD18798488
ZINC000061719904
ZINC61719904
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