Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL050466
SMILES Cc1cccc(c1)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 C28H25N3O2S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O2S/c1-19-7-5-11-23(15-19)31-27(33)24(26(32)29-28(31)34)17-21-12-13-25-22(16-21)10-6-14-30(25)18-20-8-3-2-4-9-20/h2-5,7-9,11-13,15-17H,6,10,14,18H2,1H3,(H,29,32,34)/b24-17+InChIKey
QFHIJAJSFKLJJD-JJIBRWJFSA-NSynonyms
843636-18-0(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1(3methylphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(3METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
843636180
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=S
Cc1cccc(c1)N1C(=NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)S
InChI=1SC28H25N3O2Sc119751123(1519)3127(33)24(26(32)2928(31)34)172112132522(1621)1061430(25)18208324920h257911131517H6101418H21H3(H293234)b2417+
MFCD07206268
ZINC000009089892
ZINC9089892
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