Vitas-M small molecule compound
methyl 4-[({4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy}acetyl)amino]benzoate
Catalog ID
STK287277
SMILES CCOc1cc(ccc1OCC(=O)Nc1ccc(cc1)C(=O)OC)/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 C28H24N4O5 MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O5/c1-3-36-25-15-18(14-20(16-29)27-31-22-6-4-5-7-23(22)32-27)8-13-24(25)37-17-26(33)30-21-11-9-19(10-12-21)28(34)35-2/h4-15H,3,17H2,1-2H3,(H,30,33)(H,31,32)/b20-14+InChIKey
GJJKMYHLNVIMII-XSFVSMFZSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)NC4=CC=C(C=C4)C(=O)OC
CCOc1cc(ccc1OCC(=O)Nc1ccc(cc1)C(=O)OC)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC28H24N4O5c1336251518(1420(1629)273122645723(22)3227)81324(25)371726(33)302111919(101221)28(34)352h415H317H212H3(H3033)(H3132)b2014+
methyl4(((4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2ethoxyphenoxy)acetyl)amino)benzoate
methyl4((2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2ethoxyphenoxy)acetyl)amino)benzoate
MFCD06760547
ZINC000009187380
ZINC09187380
ZINC9187380
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