Vitas-M small molecule compound
2,6-dimethoxy-4-{(E)-[(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}phenyl acetate
Catalog ID
STK553810
SMILES COc1cc(/C=N/n2cnc3c(c2=O)[nH]c2c3cc(cc2)C)cc(c1OC(=O)C)OC
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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 C22H20N4O5 MW 420.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5/c1-12-5-6-16-15(7-12)19-20(25-16)22(28)26(11-23-19)24-10-14-8-17(29-3)21(31-13(2)27)18(9-14)30-4/h5-11,25H,1-4H3/b24-10+InChIKey
AFTPWGJPFQCEQN-YSURURNPSA-NSynonyms
840463-75-4(26DIMETHOXY4((E)(8METHYL4OXO5HPYRIMIDO(54B)INDOL3YL)IMINOMETHYL)PHENYL)ACETATE
(E)26dimethoxy4(((8methyl4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)phenylacetate
26dimethoxy4((E)((8methyl4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)phenylacetate
840463754
CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)N=CC4=CC(=C(C(=C4)OC)OC(=O)C)OC
COc1cc(C=Nn2cnc3c(c2=O)(nH)c2c3cc(cc2)C)cc(c1OC(=O)C)OC
InChI=1SC22H20N4O5c112561615(712)1920(2516)22(28)26(112319)241014817(293)21(3113(2)27)18(914)304h51125H14H3b2410+
MFCD04004783
ZINC000002259337
ZINC33351768
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