Vitas-M small molecule compound
(2E)-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(6-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]-3-(furan-2-yl)prop-2-enamide
Catalog ID
STL447988
SMILES COc1ccc2c(c1)[nH]cc2CCN/C(=N/C(=O)/C=C/c1ccco1)/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 C25H26N6O3 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O3/c1-16-13-17(2)29-25(28-16)31-24(30-23(32)9-7-19-5-4-12-34-19)26-11-10-18-15-27-22-14-20(33-3)6-8-21(18)22/h4-9,12-15,27H,10-11H2,1-3H3,(H2,26,28,29,30,31,32)/b9-7+InChIKey
CPXANJHXMOEVDX-VQHVLOKHSA-NSynonyms
(2E)N((Z)((46dimethylpyrimidin2yl)amino)((2(6methoxy1Hindol3yl)ethyl)amino)methylidene)3(furan2yl)prop2enamide
(E)N(N(46dimethylpyrimidin2yl)N(2(6methoxy1Hindol3yl)ethyl)carbamimidoyl)3(furan2yl)prop2enamide
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=CC(=C3)OC)NC(=O)C=CC4=CC=CO4)C
COc1ccc2c(c1)(nH)cc2CCNC(=NC(=O)C=Cc1ccco1)Nc1nc(C)cc(n1)C
InChI=1SC25H26N6O3c1161317(2)2925(2816)3124(3023(32)971954123419)261110181527221420(333)6821(18)22h49121527H1011H213H3(H2262829303132)b97+
MFCD30712942
ZINC000008758509
ZINC8758509
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