Vitas-M small molecule compound

3-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]sulfanyl}propanoic acid

Catalog ID
STK806576
SMILES OC(=O)CCSCCCn1c(=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 C18H17NO4S MW 343.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO4S/c20-15(21)8-11-24-10-3-9-19-17(22)13-6-1-4-12-5-2-7-14(16(12)13)18(19)23/h1-2,4-7H,3,8-11H2,(H,20,21)
InChIKey
GTKXGZUMBCLIJE-UHFFFAOYSA-N
Synonyms
325850-86-0
3((3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)sulfanyl)propanoicacid
3((3(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PROPYL)THIO)PROPANOICACID
3(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYLSULFANYL)PROPANOICACID
325850860
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSCCC(=O)O
InChI=1SC18H17NO4Sc2015(21)8112410391917(22)136141252714(16(12)13)18(19)23h1247H3811H2(H2021)
MFCD01166052
ZINC000004070869
ZINC4070869

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Available files

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