Vitas-M small molecule compound
ethyl 2-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK549373
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc3c(c2)OCO3)/C#N)sc2c1CCCC2
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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 C24H21N3O4S2 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S2/c1-2-29-24(28)21-16-5-3-4-6-20(16)33-23(21)26-11-15(10-25)22-27-17(12-32-22)14-7-8-18-19(9-14)31-13-30-18/h7-9,11-12,26H,2-6,13H2,1H3/b15-11-InChIKey
DBERLFYISIQBPU-PTNGSMBKSA-NSynonyms
799770-78-8(Z)ethyl2((2(4(benzo(d)(13)dioxol5yl)thiazol2yl)2cyanovinyl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
799770788
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc3c(c2)OCO3)C#N)sc2c1CCCC2
ethyl2(((Z)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H21N3O4S2c122924(28)2116534620(16)3323(21)261115(1025)222717(123222)14781819(914)31133018h79111226H2613H21H3b1511
MFCD03671584
ZINC000002204166
ZINC02204166
ZINC2204166
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