Vitas-M small molecule compound
10a-{(E)-2-[3-(heptyloxy)phenyl]ethenyl}-8,10,10-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STL531752
SMILES CCCCCCCOc1cccc(c1)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cc(cc1)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 C29H38N2O2 MW 446.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O2/c1-5-6-7-8-9-19-33-24-12-10-11-23(21-24)15-17-29-28(3,4)25-20-22(2)13-14-26(25)31(29)18-16-27(32)30-29/h10-15,17,20-21H,5-9,16,18-19H2,1-4H3,(H,30,32)/b17-15+InChIKey
GZOLCLJYUZVNFN-BMRADRMJSA-NSynonyms
(E)10a(3(heptyloxy)styryl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
10~(a)((~(E))2(3heptoxyphenyl)ethenyl)81010trimethyl34dihydro1~(H)pyrimido(12a)indol2one
10a((E)2(3(heptyloxy)phenyl)ethenyl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
6216927
CCCCCCCOc1cccc(c1)C=CC12NC(=O)CCN1c1c(C2(C)C)cc(cc1)C
InChI=1SC29H38N2O2c15678919332412101123(2124)15172928(34)252022(2)131426(25)31(29)181627(32)3029h1015172021H59161819H214H3(H3032)b1715+
MFCD06495870
ZINC000002138379
ZINC000070698690
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