Vitas-M small molecule compound
2-{[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]amino}-2-oxo-1-phenylethyl acetate
Catalog ID
STK203720
SMILES CC(=O)OC(C(=O)/N=C(\Nc1nc(C)cc(n1)C)/NCCc1c[nH]c2c1cccc2)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 C27H28N6O3 MW 484.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O3/c1-17-15-18(2)31-27(30-17)33-26(28-14-13-21-16-29-23-12-8-7-11-22(21)23)32-25(35)24(36-19(3)34)20-9-5-4-6-10-20/h4-12,15-16,24,29H,13-14H2,1-3H3,(H2,28,30,31,32,33,35)InChIKey
NXUFLJRGOXPOER-UHFFFAOYSA-NSynonyms
(2((N(46dimethylpyrimidin2yl)N(2(1Hindol3yl)ethyl)carbamimidoyl)amino)2oxo1phenylethyl)acetate
(3Z)4((46DIMETHYLPYRIMIDIN2YL)AMINO)4((2INDOL3YLETHYL)AMINO)2OXO1PHENYL3AZABUT3ENYLACETATE
2(((Z)((46dimethylpyrimidin2yl)amino)((2(1Hindol3yl)ethyl)amino)methylidene)amino)2oxo1phenylethylacetate
CC(=O)OC(C(=O)N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)c2c1cccc2)c1ccccc1
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)C(C4=CC=CC=C4)OC(=O)C)C
InChI=1SC27H28N6O3c1171518(2)3127(3017)3326(2814132116292312871122(21)23)3225(35)24(3619(3)34)2095461020h41215162429H1314H213H3(H2283031323335)
MFCD06650306
ZINC000009971339
ZINC000009971342
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