Vitas-M small molecule compound
2-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy}-N-(2-methoxy-5-methylphenyl)acetamide
Catalog ID
STL417678
SMILES COc1cc(ccc1OCC(=O)Nc1cc(C)ccc1OC)/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 C27H24N4O4 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O4/c1-17-8-10-23(33-2)22(12-17)29-26(32)16-35-24-11-9-18(14-25(24)34-3)13-19(15-28)27-30-20-6-4-5-7-21(20)31-27/h4-14H,16H2,1-3H3,(H,29,32)(H,30,31)/b19-13+InChIKey
HHMLWFMETOWNFD-CPNJWEJPSA-NSynonyms
2(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenoxy)N(2methoxy5methylphenyl)acetamide
CC1=CC(=C(C=C1)OC)NC(=O)COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)OC
COc1cc(ccc1OCC(=O)Nc1cc(C)ccc1OC)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC27H24N4O4c11781023(332)22(1217)2926(32)16352411918(1425(24)343)1319(1528)273020645721(20)3127h414H16H213H3(H2932)(H3031)b1913+
MFCD07178774
ZINC000016291005
ZINC16291005
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