Vitas-M small molecule compound
methyl 4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzoate
Catalog ID
STL169541
SMILES COC(=O)c1ccc(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 C18H13N3O2 MW 303.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O2/c1-23-18(22)13-8-6-12(7-9-13)10-14(11-19)17-20-15-4-2-3-5-16(15)21-17/h2-10H,1H3,(H,20,21)/b14-10+InChIKey
UOAOVQWGUYMVLC-GXDHUFHOSA-NSynonyms
145127-02-2145127022
4(2(1HBENZOIMIDAZOL2YL)2CYANOVINYL)BENZOICACIDMETHYLESTER
COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2
COC(=O)c1ccc(cc1)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC18H13N3O2c12318(22)138612(7913)1014(1119)172015423516(15)2117h210H1H3(H2021)b1410+
METHYL4((1E)2BENZIMIDAZOL2YL2CYANOVINYL)BENZOATE
methyl4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)benzoate
MFCD00394752
ZINC000004149405
ZINC04149405
ZINC4149405
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