Vitas-M small molecule compound

ethyl 6-(1H-benzimidazol-1-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK775843
SMILES CCOC(=O)C1=C(NC(=O)NC1c1ccc2c(c1)OCO2)Cn1cnc2c1cccc2

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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 C22H20N4O5 MW 420.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5/c1-2-29-21(27)19-15(10-26-11-23-14-5-3-4-6-16(14)26)24-22(28)25-20(19)13-7-8-17-18(9-13)31-12-30-17/h3-9,11,20H,2,10,12H2,1H3,(H2,24,25,28)
InChIKey
OJZQMTWBXHWRFR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4C=NC5=CC=CC=C54
ethyl6(1Hbenzimidazol1ylmethyl)4(13benzodioxol5yl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6(2HBENZO(34D)13DIOXOLAN5YL)4(BENZIMIDAZOLYLMETHYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
ETHYL6(BENZIMIDAZOL1YLMETHYL)4(13BENZODIOXOL5YL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC22H20N4O5c122921(27)1915(1026112314534616(14)26)2422(28)2520(19)13781718(913)31123017h391120H21012H21H3(H2242528)
MFCD05257901
ZINC000001422485
ZINC000001422486

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Available files

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