Vitas-M small molecule compound

(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Catalog ID
STK536859
SMILES N#C/C(=C\Nc1cc2OCOc2cc1C(=O)C)/c1scc(n1)c1ccc2c(c1)OCO2

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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 C22H15N3O5S MW 433.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O5S/c1-12(26)15-5-20-21(30-11-29-20)6-16(15)24-8-14(7-23)22-25-17(9-31-22)13-2-3-18-19(4-13)28-10-27-18/h2-6,8-9,24H,10-11H2,1H3/b14-8+
InChIKey
ZBDGZTUHTUEOJW-RIYZIHGNSA-N
Synonyms

(2E)3((6acetyl13benzodioxol5yl)amino)2(4(13benzodioxol5yl)13thiazol2yl)prop2enenitrile
(E)3((6ACETYL13BENZODIOXOL5YL)AMINO)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)PROP2ENENITRILE
(E)3((6acetylbenzo(d)(13)dioxol5yl)amino)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)acrylonitrile
CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5)OCO2
InChI=1SC22H15N3O5Sc112(26)1552021(30112920)616(15)24814(723)222517(93122)13231819(413)28102718h268924H1011H21H3b148+
MFCD02982899
N#CC(=CNc1cc2OCOc2cc1C(=O)C)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000001825800
ZINC01825800
ZINC1825800

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Available files

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