Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK568563
SMILES COc1ccccc1N1C(=S)NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O
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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 C28H25N3O3S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S/c1-34-25-12-6-5-11-24(25)31-27(33)22(26(32)29-28(31)35)17-20-13-14-23-21(16-20)10-7-15-30(23)18-19-8-3-2-4-9-19/h2-6,8-9,11-14,16-17H,7,10,15,18H2,1H3,(H,29,32,35)/b22-17+InChIKey
ATZMJKPCWSNEFS-OQKWZONESA-NSynonyms
578760-80-2(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1(2methoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(2METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(E)5((1benzyl1234tetrahydroquinolin6yl)methylene)1(2methoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
578760802
COC1=CC=CC=C1N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=S
COc1ccccc1N1C(=S)NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O
InChI=1SC28H25N3O3Sc1342512651124(25)3127(33)22(26(32)2928(31)35)172013142321(1620)1071530(23)18198324919h268911141617H7101518H21H3(H293235)b2217+
MFCD04025395
ZINC000009111547
ZINC9111547
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