Vitas-M small molecule compound
9a-[(E)-2-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}ethenyl]-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Catalog ID
STK574819
SMILES COc1cc(/C=C/C23NC(=O)CN2c2c(C3(C)C)cc(cc2)C)ccc1OCc1ccc(cc1)Cl
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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 C29H29ClN2O3 MW 489.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O3/c1-19-5-11-24-23(15-19)28(2,3)29(31-27(33)17-32(24)29)14-13-20-8-12-25(26(16-20)34-4)35-18-21-6-9-22(30)10-7-21/h5-16H,17-18H2,1-4H3,(H,31,33)/b14-13+InChIKey
QYRMJUXMNLSQRN-BUHFOSPRSA-NSynonyms
847045-58-3(E)9a(4((4chlorobenzyl)oxy)3methoxystyryl)799trimethyl99adihydro1Himidazo(12a)indol2(3H)one
3A((E)2(4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)ETHENYL)446TRIMETHYL13DIHYDROIMIDAZO(12A)INDOL2ONE
847045583
9a((E)2(4((4chlorobenzyl)oxy)3methoxyphenyl)ethenyl)799trimethyl99adihydro1Himidazo(12a)indol2(3H)one
CC1=CC2=C(C=C1)N3CC(=O)NC3(C2(C)C)C=CC4=CC(=C(C=C4)OCC5=CC=C(C=C5)Cl)OC
COc1cc(C=CC23NC(=O)CN2c2c(C3(C)C)cc(cc2)C)ccc1OCc1ccc(cc1)Cl
InChI=1SC29H29ClN2O3c1195112423(1519)28(23)29(3127(33)1732(24)29)14132081225(26(1620)344)3518216922(30)10721h516H1718H214H3(H3133)b1413+
MFCD04182055
ZINC000002328393
ZINC000009239994
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.