Vitas-M small molecule compound
[({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)amino](phenyl)acetic acid
Catalog ID
STL162843
SMILES CSc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)NC(c1ccccc1)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/c1-29-16-9-7-14(8-10-16)17-11-12-19(26)24(23-17)13-18(25)22-20(21(27)28)15-5-3-2-4-6-15/h2-12,20H,13H2,1H3,(H,22,25)(H,27,28)InChIKey
HJYNJPZWTAKYDE-UHFFFAOYSA-NSynonyms
(((3(4(methylsulfanyl)phenyl)6oxopyridazin1(6H)yl)acetyl)amino)(phenyl)aceticacid
(R)2(2(3(4(methylthio)phenyl)6oxopyridazin1(6H)yl)acetamido)2phenylaceticacid
2((2(3(4methylsulfanylphenyl)6oxopyridazin1yl)acetyl)amino)2phenylaceticacid
CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC(C3=CC=CC=C3)C(=O)O
CSc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)N(C@H)(c1ccccc1)C(=O)O
InChI=1SC21H19N3O4Sc129169714(81016)17111219(26)24(2317)1318(25)2220(21(27)28)155324615h21220H13H21H3(H2225)(H2728)
MFCD20504015
ZINC000061719473
ZINC000071335571
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