Vitas-M small molecule compound
4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl 4-methoxybenzoate
Catalog ID
STK117083
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)/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 C24H17N3O3 MW 395.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17N3O3/c1-29-19-12-8-17(9-13-19)24(28)30-20-10-6-16(7-11-20)14-18(15-25)23-26-21-4-2-3-5-22(21)27-23/h2-14H,1H3,(H,26,27)/b18-14+InChIKey
SOEOBFKUPSXKMB-NBVRZTHBSA-NSynonyms
(4((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)PHENYL)4METHOXYBENZOATE
4((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)PHENYL4METHOXYBENZOATE
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC24H17N3O3c1291912817(91319)24(28)302010616(71120)1418(1525)232621423522(21)2723h214H1H3(H2627)b1814+
MFCD04213450
ZINC000004678280
ZINC04678280
ZINC4678280
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