Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(3-chlorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK574468
SMILES Clc1cccc(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 C27H22ClN3O2S MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O2S/c28-21-9-4-10-22(16-21)31-26(33)23(25(32)29-27(31)34)15-19-11-12-24-20(14-19)8-5-13-30(24)17-18-6-2-1-3-7-18/h1-4,6-7,9-12,14-16H,5,8,13,17H2,(H,29,32,34)/b23-15+InChIKey
KAPZRWCMEXCNBE-HZHRSRAPSA-NSynonyms
578761-24-7(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1(3chlorophenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(3CHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
578761247
C1CC2=C(C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl)N(C1)CC5=CC=CC=C5
Clc1cccc(c1)N1C(=NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)S
InChI=1SC27H22ClN3O2Sc2821941022(1621)3126(33)23(25(32)2927(31)34)151911122420(1419)851330(24)17186213718h14679121416H581317H2(H293234)b2315+
MFCD07202931
ZINC000009111528
ZINC9111528
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