Vitas-M small molecule compound
2-tert-butyl 4-ethyl 5-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK803933
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc3c(c2)OCO3)/C#N)sc(c1C)C(=O)OC(C)(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 C26H25N3O6S2 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6S2/c1-6-32-24(30)20-14(2)21(25(31)35-26(3,4)5)37-23(20)28-11-16(10-27)22-29-17(12-36-22)15-7-8-18-19(9-15)34-13-33-18/h7-9,11-12,28H,6,13H2,1-5H3/b16-11-InChIKey
MBJQFFLVCAFWDE-WJDWOHSUSA-NSynonyms
577982-50-4(Z)2tertbutyl4ethyl5((2(4(benzo(d)(13)dioxol5yl)thiazol2yl)2cyanovinyl)amino)3methylthiophene24dicarboxylate
2OTERTBUTYL4OETHYL5(((Z)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)2CYANOETHENYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
2tertbutyl4ethyl5(((Z)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)amino)3methylthiophene24dicarboxylate
577982504
CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc3c(c2)OCO3)C#N)sc(c1C)C(=O)OC(C)(C)C
InChI=1SC26H25N3O6S2c163224(30)2014(2)21(25(31)3526(34)5)3723(20)281116(1027)222917(123622)15781819(915)34133318h79111228H613H215H3b1611
MFCD04021629
ZINC000002335901
ZINC2335901
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.