Vitas-M small molecule compound

methyl 4-(4-ethylphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Catalog ID
STK229754
SMILES COC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)CC)c1ccccc1n2

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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 C21H21N3O2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2/c1-4-14-9-11-15(12-10-14)19-18(20(25)26-3)13(2)22-21-23-16-7-5-6-8-17(16)24(19)21/h5-12,19H,4H2,1-3H3,(H,22,23)
InChIKey
GGQIQDKNFLJLKB-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)C)C(=O)OC
InChI=1SC21H21N3O2c141491115(121014)1918(20(25)263)13(2)22212316756817(16)24(19)21h51219H4H213H3(H2223)
METHYL4(4ETHYLPHENYL)2METHYL145TRIHYDROPYRIMIDINO(12A)BENZIMIDAZOLE3CARBOXYLATE
METHYL4(4ETHYLPHENYL)2METHYL14DIHYDROPYRIMIDO(12A)BENZIMIDAZOLE3CARBOXYLATE
MFCD07469838
ZINC000004735533
ZINC000004735535

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.