Vitas-M small molecule compound
2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]sulfanyl}pyridine-3-carboxylic acid
Catalog ID
STK806693
SMILES OC(=O)c1cccnc1SCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
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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 C21H16N2O4S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4S/c24-19-14-7-1-5-13-6-2-8-15(17(13)14)20(25)23(19)11-4-12-28-18-16(21(26)27)9-3-10-22-18/h1-3,5-10H,4,11-12H2,(H,26,27)InChIKey
WGSCDRLDDCROHP-UHFFFAOYSA-NSynonyms
324774-58-52((3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)sulfanyl)pyridine3carboxylicacid
2(3(13DIOXO1H3HBENZO(DE)ISOQUINOLIN2YL)PROPYLSULFANYL)NICOTINICACID
2(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYLSULFANYL)PYRIDINE3CARBOXYLICACID
324774585
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=C(C=CC=N4)C(=O)O
InChI=1SC21H16N2O4Sc2419147151362815(17(13)14)20(25)23(19)11412281816(21(26)27)93102218h13510H41112H2(H2627)
MFCD01795304
ZINC000004247229
ZINC4247229
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