Vitas-M small molecule compound

methyl 4-(4-ethoxyphenyl)-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL107795
SMILES CCOc1ccc(cc1)C1NC(=O)NC(=C1C(=O)OC)CN1CCCN(CC1)C

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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 C21H30N4O4 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O4/c1-4-29-16-8-6-15(7-9-16)19-18(20(26)28-3)17(22-21(27)23-19)14-25-11-5-10-24(2)12-13-25/h6-9,19H,4-5,10-14H2,1-3H3,(H2,22,23,27)
InChIKey
YGDKMQAADCQHSH-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCCN(CC3)C)C(=O)OC
InChI=1SC21H30N4O4c1429168615(7916)1918(20(26)283)17(2221(27)2319)14251151024(2)121325h6919H451014H213H3(H2222327)
methyl4(4ethoxyphenyl)6((4methyl14diazepan1yl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl4(4ethoxyphenyl)6((4methyl14diazepan1yl)methyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD20741717
ZINC000067287211
ZINC000067287213

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Available files

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