Vitas-M small molecule compound
methyl 2-{4-[(E)-2-(2-hydroxy-10,10-dimethyl-3,4-dihydropyrimido[1,2-a]indol-10a(10H)-yl)ethenyl]phenyl}-2-methylpropanoate
Catalog ID
STL535589
SMILES COC(=O)C(c1ccc(cc1)/C=C/C12N=C(O)CCN1c1c(C2(C)C)cccc1)(C)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 C26H30N2O3 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O3/c1-24(2,23(30)31-5)19-12-10-18(11-13-19)14-16-26-25(3,4)20-8-6-7-9-21(20)28(26)17-15-22(29)27-26/h6-14,16H,15,17H2,1-5H3,(H,27,29)/b16-14+InChIKey
GCJCYCZUPRWVJA-JQIJEIRASA-NSynonyms
5899545
InChI=1SC26H30N2O3c124(223(30)315)19121018(111319)14162625(34)20867921(20)28(26)171522(29)2726h61416H1517H215H3(H2729)b1614+
methyl2(4((~(E))2(1010dimethyl2oxo34dihydro1~(H)pyrimido(12a)indol10~(a)yl)ethenyl)phenyl)2methylpropanoate
methyl2(4((E)2(2hydroxy1010dimethyl34dihydropyrimido(12a)indol10a(10H)yl)ethenyl)phenyl)2methylpropanoate
MFCD31754074
ZINC000002108748
ZINC000003999930
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