Vitas-M small molecule compound
ethyl 2-[({4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK287231
SMILES CCOC(=O)c1c(NC(=O)COc2ccc(cc2)/C=C(/c2nc3c([nH]2)cccc3)\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 C29H26N4O4S MW 526.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O4S/c1-2-36-29(35)26-21-7-3-6-10-24(21)38-28(26)33-25(34)17-37-20-13-11-18(12-14-20)15-19(16-30)27-31-22-8-4-5-9-23(22)32-27/h4-5,8-9,11-15H,2-3,6-7,10,17H2,1H3,(H,31,32)(H,33,34)/b19-15+InChIKey
IQEOZMNSUNIPLA-XDJHFCHBSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)C=C(C#N)C4=NC5=CC=CC=C5N4
CCOC(=O)c1c(NC(=O)COc2ccc(cc2)C=C(c2nc3c((nH)2)cccc3)C#N)sc2c1CCCC2
ethyl2(((4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)phenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)phenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H26N4O4Sc123629(35)26217361024(21)3828(26)3325(34)173720131118(121420)1519(1630)273122845923(22)3227h45891115H23671017H21H3(H3132)(H3334)b1915+
MFCD07115280
ZINC000097962137
ZINC97962137
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