Vitas-M small molecule compound
3-(4-methoxyphenyl)-12-[(E)-2-phenylethenyl]-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
Catalog ID
STK210339
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1n(C2/C=C/c2ccccc2)c2c(n1)cccc2
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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 C29H25N3O2 MW 447.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O2/c1-34-22-14-12-20(13-15-22)21-17-24-28(27(33)18-21)26(16-11-19-7-3-2-4-8-19)32-25-10-6-5-9-23(25)30-29(32)31-24/h2-16,21,26H,17-18H2,1H3,(H,30,31)/b16-11+InChIKey
LFSSYFWGTHSGLA-LFIBNONCSA-NSynonyms
3(4methoxyphenyl)12((E)2phenylethenyl)34512tetrahydro2Hbenzimidazolo(21b)quinazolin1one
3(4methoxyphenyl)12((E)2phenylethenyl)34512tetrahydrobenzimidazo(21b)quinazolin1(2H)one
COC1=CC=C(C=C1)C2CC3=C(C(N4C5=CC=CC=C5N=C4N3)C=CC6=CC=CC=C6)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1n(C2C=Cc2ccccc2)c2c(n1)cccc2
InChI=1SC29H25N3O2c13422141220(131522)21172428(27(33)1821)26(1611197324819)32251065923(25)3029(32)3124h2162126H1718H21H3(H3031)b1611+
MFCD06192812
ZINC000010035373
ZINC000010035376
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