Vitas-M small molecule compound

methyl 4-{[(1,3-dicyclohexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate

Catalog ID
STK868307
SMILES COC(=O)c1ccc(cc1)NC=C1C(=O)N(C2CCCCC2)C(=O)N(C1=O)C1CCCCC1

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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 C25H31N3O5 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5/c1-33-24(31)17-12-14-18(15-13-17)26-16-21-22(29)27(19-8-4-2-5-9-19)25(32)28(23(21)30)20-10-6-3-7-11-20/h12-16,19-20,26H,2-11H2,1H3
InChIKey
YCLDYGPZXWMHER-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC=C2C(=O)N(C(=O)N(C2=O)C3CCCCC3)C4CCCCC4
InChI=1SC25H31N3O5c13324(31)17121418(151317)26162122(29)27(198425919)25(32)28(23(21)30)20106371120h1216192026H211H21H3
methyl4(((13dicyclohexyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
METHYL4((13DICYCLOHEXYL246TRIOXO13DIAZINAN5YLIDENE)METHYLAMINO)BENZOATE
MFCD00814818
ZINC000001230862
ZINC01230862
ZINC1230862

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Available files

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