Vitas-M small molecule compound

4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide

Catalog ID
STK806992
SMILES C=CCSc1nnc(s1)NC(=O)CCCn1c(=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 C21H18N4O3S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S2/c1-2-12-29-21-24-23-20(30-21)22-16(26)10-5-11-25-18(27)14-8-3-6-13-7-4-9-15(17(13)14)19(25)28/h2-4,6-9H,1,5,10-12H2,(H,22,23,26)
InChIKey
NQFTYCLRTQRMCX-UHFFFAOYSA-N
Synonyms
500267-43-6
4(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)N(5(prop2en1ylsulfanyl)134thiadiazol2yl)butanamide
4(13DIOXOBENZO(DE)ISOQUINOLIN2YL)N(5PROP2ENYLSULFANYL134THIADIAZOL2YL)BUTANAMIDE
500267436
C=CCSC1=NN=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
InChI=1SC21H18N4O3S2c12122921242320(3021)2216(26)105112518(27)148361374915(17(13)14)19(25)28h2469H151012H2(H222326)
MFCD03621119
N(5(ALLYLTHIO)134THIADIAZOL2YL)4(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)BUTANAMIDE
ZINC000009637421
ZINC09637421
ZINC9637421

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Available files

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