Vitas-M small molecule compound
1-cyclohexyl-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(6-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]urea
Catalog ID
STL448000
SMILES COc1ccc2c(c1)[nH]cc2CCN/C(=N/C(=O)NC1CCCCC1)/Nc1nc(C)cc(n1)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 C25H33N7O2 MW 463.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N7O2/c1-16-13-17(2)29-24(28-16)31-23(32-25(33)30-19-7-5-4-6-8-19)26-12-11-18-15-27-22-14-20(34-3)9-10-21(18)22/h9-10,13-15,19,27H,4-8,11-12H2,1-3H3,(H3,26,28,29,30,31,32,33)InChIKey
SETFJCZKNVFASX-UHFFFAOYSA-NSynonyms
1cyclohexyl3((Z)((46dimethylpyrimidin2yl)amino)((2(6methoxy1Hindol3yl)ethyl)amino)methylidene)urea
1cyclohexyl3(N(46dimethylpyrimidin2yl)N(2(6methoxy1Hindol3yl)ethyl)carbamimidoyl)urea
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=CC(=C3)OC)NC(=O)NC4CCCCC4)C
InChI=1SC25H33N7O2c1161317(2)2924(2816)3123(3225(33)30197546819)261211181527221420(343)91021(18)22h91013151927H481112H213H3(H326282930313233)
MFCD30712952
NCYCLOHEXYLN((E)((46DIMETHYL2PYRIMIDINYL)AMINO)((2(6METHOXY1HINDOL3YL)ETHYL)AMINO)METHYLIDENE)UREA
ZINC000008758585
ZINC8758585
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