Vitas-M small molecule compound
1-{(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3-phenylurea
Catalog ID
STK189834
SMILES O=C(/N=C(\Nc1nc(C)cc(n1)C)/NCc1ccc2c(c1)OCO2)Nc1ccccc1
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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 C22H22N6O3 MW 418.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3/c1-14-10-15(2)25-21(24-14)27-20(28-22(29)26-17-6-4-3-5-7-17)23-12-16-8-9-18-19(11-16)31-13-30-18/h3-11H,12-13H2,1-2H3,(H3,23,24,25,26,27,28,29)InChIKey
YGCYDRPZSUFGPZ-UHFFFAOYSA-NSynonyms
1((Z)((13BENZODIOXOL5YLMETHYL)AMINO)((46DIMETHYLPYRIMIDIN2YL)AMINO)METHYLIDENE)3PHENYLUREA
1(N(13BENZODIOXOL5YLMETHYL)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)3PHENYLUREA
CC1=CC(=NC(=N1)NC(=NCC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC=CC=C4)C
InChI=1SC22H22N6O3c1141015(2)2521(2414)2720(2822(29)26176435717)231216891819(1116)31133018h311H1213H212H3(H323242526272829)
MFCD05991987
N(((13BENZODIOXOL5YLMETHYL)AMINO)((46DIMETHYL2PYRIMIDINYL)AMINO)METHYLENE)NPHENYLUREA
O=C(N=C(Nc1nc(C)cc(n1)C)NCc1ccc2c(c1)OCO2)Nc1ccccc1
ZINC000004210355
ZINC4210355
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