Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL053525
SMILES COc1ccc(c(c1)N1C(=S)NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-35-22-11-13-26(36-2)25(17-22)32-28(34)23(27(33)30-29(32)37)16-20-10-12-24-21(15-20)9-6-14-31(24)18-19-7-4-3-5-8-19/h3-5,7-8,10-13,15-17H,6,9,14,18H2,1-2H3,(H,30,33,37)/b23-16+InChIKey
MVVDWLOIPVMOAL-XQNSMLJCSA-NSynonyms
840486-01-3(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1(25dimethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(25DIMETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(E)5((1benzyl1234tetrahydroquinolin6yl)methylene)1(25dimethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
840486013
COC1=CC(=C(C=C1)OC)N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=S
COc1ccc(c(c1)N1C(=S)NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)OC
InChI=1SC29H27N3O4Sc13522111326(362)25(1722)3228(34)23(27(33)3029(32)37)162010122421(1520)961431(24)18197435819h357810131517H691418H212H3(H303337)b2316+
MFCD04007723
ZINC000009089919
ZINC000034378918
ZINC9089919
Check stock
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Check stock on Vitas-MAvailable files
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