Vitas-M small molecule compound
methyl (6-oxo-2-{N'-[4-(propan-2-yl)phenyl]carbamimidamido}-3,6-dihydropyrimidin-4-yl)acetate
Catalog ID
STK133684
SMILES COC(=O)Cc1cc(=O)nc([nH]1)NC(=N)Nc1ccc(cc1)C(C)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 C17H21N5O3 MW 343.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5O3/c1-10(2)11-4-6-12(7-5-11)19-16(18)22-17-20-13(8-14(23)21-17)9-15(24)25-3/h4-8,10H,9H2,1-3H3,(H4,18,19,20,21,22,23)InChIKey
VXXLOSYSEPGXHI-UHFFFAOYSA-NSynonyms
667431-01-8(2(N(4ISOPROPYLPHENYL)GUANIDINO)6OXO36DIHYDROPYRIMIDIN4YL)ACETIC
667431018
CC(C)C1=CC=C(C=C1)NC(=NC2=NC(=O)C=C(N2)CC(=O)OC)N
COC(=O)Cc1cc(=O)nc((nH)1)NC(=N)Nc1ccc(cc1)C(C)C
InChI=1SC17H21N5O3c110(2)114612(7511)1916(18)22172013(814(23)2117)915(24)253h4810H9H213H3(H4181920212223)
METHYL(2((IMINO(4ISOPROPYLANILINO)METHYL)AMINO)6OXO36DIHYDRO4PYRIMIDINYL)ACETATE
METHYL(6OXO2(N(4(PROPAN2YL)PHENYL)CARBAMIMIDAMIDO)36DIHYDROPYRIMIDIN4YL)ACETATE
METHYL2(2((AMINO(4PROPAN2YLANILINO)METHYLIDENE)AMINO)4OXO1HPYRIMIDIN6YL)ACETATE
methyl2(2(3(4isopropylphenyl)guanidino)6oxo36dihydropyrimidin4yl)acetate
MFCD03871847
ZINC000003909210
ZINC13571062
ZINC3909210
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.