Vitas-M small molecule compound

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

Catalog ID
STK536119
SMILES N#C/C(=C\Nc1cc2OCOc2cc1C(=O)C)/c1scc(n1)c1ccc(cc1)CC(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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-15(2)8-17-4-6-18(7-5-17)22-13-32-25(28-22)19(11-26)12-27-21-10-24-23(30-14-31-24)9-20(21)16(3)29/h4-7,9-10,12-13,15,27H,8,14H2,1-3H3/b19-12+
InChIKey
QKOPTYQXBSBLJJ-XDHOZWIPSA-N
Synonyms

(2E)3((6acetyl13benzodioxol5yl)amino)2(4(4(2methylpropyl)phenyl)13thiazol2yl)prop2enenitrile
(E)3((6ACETYL13BENZODIOXOL5YL)AMINO)2(4(4(2METHYLPROPYL)PHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3((6acetylbenzo(d)(13)dioxol5yl)amino)2(4(4isobutylphenyl)thiazol2yl)acrylonitrile
CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3C(=O)C)OCO4)C#N
InChI=1SC25H23N3O3Sc115(2)8174618(7517)22133225(2822)19(1126)122721102423(30143124)920(21)16(3)29h4791012131527H814H213H3b1912+
MFCD02982528
N#CC(=CNc1cc2OCOc2cc1C(=O)C)c1scc(n1)c1ccc(cc1)CC(C)C
ZINC000001305575
ZINC01305575
ZINC1305575

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Available files

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