Vitas-M small molecule compound

1-(5-benzyl-6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)-3-(3-chloro-2-methylphenyl)guanidine

Catalog ID
STK104152
SMILES N=C(Nc1cccc(c1C)Cl)Nc1[nH]c(C)c(c(=O)n1)Cc1ccccc1

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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 C20H20ClN5O MW 381.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5O/c1-12-16(21)9-6-10-17(12)24-19(22)26-20-23-13(2)15(18(27)25-20)11-14-7-4-3-5-8-14/h3-10H,11H2,1-2H3,(H4,22,23,24,25,26,27)
InChIKey
ACSHYBDWMPBHPF-UHFFFAOYSA-N
Synonyms
587012-87-1
1((2E)5BENZYL4HYDROXY6METHYLPYRIMIDIN2(1H)YLIDENE)3(3CHLORO2METHYLPHENYL)GUANIDINE
1(5BENZYL4METHYL6OXO16DIHYDROPYRIMIDIN2YL)3(3CHLORO2METHYLPHENYL)GUANIDINE
1(5BENZYL6METHYL4OXO14DIHYDROPYRIMIDIN2YL)3(3CHLORO2METHYLPHENYL)GUANIDINE
2((((3CHLORO2METHYLPHENYL)AMINO)IMINOMETHYL)AMINO)6METHYL5BENZYLHYDROPYRIMIDIN4ONE
2(5BENZYL6METHYL4OXO1HPYRIMIDIN2YL)1(3CHLORO2METHYLPHENYL)GUANIDINE
587012871
CC1=C(C=CC=C1Cl)NC(=NC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3)N
InChI=1SC20H20ClN5Oc11216(21)961017(12)2419(22)26202313(2)15(18(27)2520)11147435814h310H11H212H3(H4222324252627)
MFCD03941459
N=C(Nc1cccc(c1C)Cl)Nc1(nH)c(C)c(c(=O)n1)Cc1ccccc1
ZINC08574832
ZINC4148822

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Available files

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