Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL056294
SMILES COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)S
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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/c1-34-23-12-10-22(11-13-23)31-27(33)24(26(32)29-28(31)35)17-20-9-14-25-21(16-20)8-5-15-30(25)18-19-6-3-2-4-7-19/h2-4,6-7,9-14,16-17H,5,8,15,18H2,1H3,(H,29,32,35)/b24-17+InChIKey
LMAJVANIMFMBAZ-JJIBRWJFSA-NSynonyms
577787-95-2(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1(4methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
577787952
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=S
COc1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)S
InChI=1SC28H25N3O3Sc13423121022(111323)3127(33)24(26(32)2928(31)35)17209142521(1620)851530(25)18196324719h24679141617H581518H21H3(H293235)b2417+
MFCD07197503
ZINC000009009649
ZINC9009649
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