Vitas-M small molecule compound

methyl 7-cyclopropyl-3-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate

Catalog ID
STK497414
SMILES COc1cccc(c1)NC(=O)Cn1c(=O)c2c(cc(nc2n(c1=O)C)C1CC1)C(=O)OC

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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 C22H22N4O6 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O6/c1-25-19-18(15(21(29)32-3)10-16(24-19)12-7-8-12)20(28)26(22(25)30)11-17(27)23-13-5-4-6-14(9-13)31-2/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,23,27)
InChIKey
XTZMAZMEIMJSIZ-UHFFFAOYSA-N
Synonyms

CN1C2=C(C(=CC(=N2)C3CC3)C(=O)OC)C(=O)N(C1=O)CC(=O)NC4=CC(=CC=C4)OC
InChI=1SC22H22N4O6c1251918(15(21(29)323)1016(2419)127812)20(28)26(22(25)30)1117(27)231354614(913)312h4691012H7811H213H3(H2327)
METHYL7CYCLOPROPYL3((N(3METHOXYPHENYL)CARBAMOYL)METHYL)1METHYL24DIOXO13DIHYDROPYRIDINO(23D)PYRIMIDINE5CARBOXYLATE
methyl7cyclopropyl3(2((3methoxyphenyl)amino)2oxoethyl)1methyl24dioxo1234tetrahydropyrido(23d)pyrimidine5carboxylate
methyl7cyclopropyl3(2(3methoxyanilino)2oxoethyl)1methyl24dioxopyrido(23d)pyrimidine5carboxylate
MFCD11854845
ZINC000012427946
ZINC12427946

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Available files

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