Vitas-M small molecule compound
N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)valine
Catalog ID
STL162960
SMILES CSc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)NC(C(=O)O)C(C)C
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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 C18H21N3O4S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4S/c1-11(2)17(18(24)25)19-15(22)10-21-16(23)9-8-14(20-21)12-4-6-13(26-3)7-5-12/h4-9,11,17H,10H2,1-3H3,(H,19,22)(H,24,25)InChIKey
XSXPLPSBEQBRKU-UHFFFAOYSA-NSynonyms
(S)3methyl2(2(3(4(methylthio)phenyl)6oxopyridazin1(6H)yl)acetamido)butanoicacid
3methyl2((2(3(4methylsulfanylphenyl)6oxopyridazin1yl)acetyl)amino)butanoicacid
CC(C)C(C(=O)O)NC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)SC
CSc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)N(C@H)(C(=O)O)C(C)C
InChI=1SC18H21N3O4Sc111(2)17(18(24)25)1915(22)102116(23)9814(2021)124613(263)7512h491117H10H213H3(H1922)(H2425)
MFCD20504252
N((3(4(methylsulfanyl)phenyl)6oxopyridazin1(6H)yl)acetyl)valine
ZINC000061720758
ZINC000071335596
Check stock
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