Vitas-M small molecule compound

ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Catalog ID
STK210464
SMILES CCOC(=O)C1=C(C)Nc2n(C1c1ccc(c(c1)OCC)O)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 C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-4-28-18-12-14(10-11-17(18)26)20-19(21(27)29-5-2)13(3)23-22-24-15-8-6-7-9-16(15)25(20)22/h6-12,20,26H,4-5H2,1-3H3,(H,23,24)
InChIKey
IGIQZJHDBBFQNA-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)C)C(=O)OCC)O
ETHYL4(3ETHOXY4HYDROXYPHENYL)2METHYL145TRIHYDROPYRIMIDINO(12A)BENZIMIDAZOLE3CARBOXYLATE
ETHYL4(3ETHOXY4HYDROXYPHENYL)2METHYL14DIHYDROPYRIMIDO(12A)BENZIMIDAZOLE3CARBOXYLATE
InChI=1SC22H23N3O4c1428181214(101117(18)26)2019(21(27)2952)13(3)23222415867916(15)25(20)22h6122026H45H213H3(H2324)
MFCD06193471
ZINC000004741602
ZINC000004741603

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Available files

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