Vitas-M small molecule compound
methyl 3-{3-[(Z)-2-cyano-2-(5-methoxy-1H-benzimidazol-2-yl)ethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK201865
SMILES COc1ccc2c(c1)nc([nH]2)/C(=C\c1cc(n(c1C)c1cccc(c1)C(=O)OC)C)/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 C25H22N4O3 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3/c1-15-10-18(16(2)29(15)20-7-5-6-17(12-20)25(30)32-4)11-19(14-26)24-27-22-9-8-21(31-3)13-23(22)28-24/h5-13H,1-4H3,(H,27,28)/b19-11-InChIKey
IRDSZGGZRBUZLE-ODLFYWEKSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C3=NC4=C(N3)C=C(C=C4)OC
COc1ccc2c(c1)nc((nH)2)C(=Cc1cc(n(c1C)c1cccc(c1)C(=O)OC)C)C#N
InChI=1SC25H22N4O3c1151018(16(2)29(15)2075617(1220)25(30)324)1119(1426)2427229821(313)1323(22)2824h513H14H3(H2728)b1911
METHYL3(3((Z)2CYANO2(5METHOXY1HBENZIMIDAZOL2YL)ETHENYL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL3(3((Z)2CYANO2(6METHOXY1HBENZIMIDAZOL2YL)ETHENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD06001254
ZINC000012393122
ZINC12393122
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