Vitas-M small molecule compound
4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl thiophene-2-carboxylate
Catalog ID
STL417447
SMILES CCOc1cc(ccc1OC(=O)c1cccs1)/C=C(/c1nc2c([nH]1)cccc2)\C#N
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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 C23H17N3O3S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O3S/c1-2-28-20-13-15(9-10-19(20)29-23(27)21-8-5-11-30-21)12-16(14-24)22-25-17-6-3-4-7-18(17)26-22/h3-13H,2H2,1H3,(H,25,26)/b16-12+InChIKey
LFXLJUSIJSHJAO-FOWTUZBSSA-NSynonyms
(4((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)2ETHOXYPHENYL)THIOPHENE2CARBOXYLATE
4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2ethoxyphenylthiophene2carboxylate
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC(=O)C4=CC=CS4
CCOc1cc(ccc1OC(=O)c1cccs1)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC23H17N3O3Sc1228201315(91019(20)2923(27)2185113021)1216(1424)222517634718(17)2622h313H2H21H3(H2526)b1612+
MFCD04208810
ZINC000004819620
ZINC04819620
ZINC4819620
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