Vitas-M small molecule compound
7,8-dimethoxy-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
Catalog ID
STL343793
SMILES COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCN(CC1)C/C=C/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 C25H27N5O2 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O2/c1-31-21-15-19-20(16-22(21)32-2)28-24-23(19)26-17-27-25(24)30-13-11-29(12-14-30)10-6-9-18-7-4-3-5-8-18/h3-9,15-17,28H,10-14H2,1-2H3/b9-6+InChIKey
DDHCTMXZQBYMSE-RMKNXTFCSA-NSynonyms
845803-71-6(E)4(4cinnamylpiperazin1yl)78dimethoxy5Hpyrimido(54b)indole
78dimethoxy4(4((2E)3phenylprop2en1yl)piperazin1yl)5Hpyrimido(54b)indole
78DIMETHOXY4(4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)5HPYRIMIDO(54B)INDOLE
845803716
COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)CC=CC5=CC=CC=C5)OC
COc1cc2c(cc1OC)(nH)c1c2ncnc1N1CCN(CC1)CC=Cc1ccccc1
InChI=1SC25H27N5O2c13121151920(1622(21)322)282423(19)26172725(24)30131129(121430)1069187435818h39151728H1014H212H3b96+
MFCD04169992
ZINC000002417590
ZINC2417590
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