Vitas-M small molecule compound
(5E)-1-[4-(propan-2-yl)phenyl]-5-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK577774
SMILES CCCN1CCCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)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 C26H29N3O2S MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O2S/c1-4-13-28-14-5-6-20-15-18(7-12-23(20)28)16-22-24(30)27-26(32)29(25(22)31)21-10-8-19(9-11-21)17(2)3/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,27,30,32)/b22-16+InChIKey
YXTULPZDMOJEOR-CJLVFECKSA-NSynonyms
892620-59-6(5E)1(4(propan2yl)phenyl)5((1propyl1234tetrahydroquinolin6yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(4PROPAN2YLPHENYL)5((1PROPYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
892620596
CCCN1CCCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)C(C)C
CCCN1CCCc2c1ccc(c2)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S
InChI=1SC26H29N3O2Sc1413281456201518(71223(20)28)162224(30)2726(32)29(25(22)31)2110819(91121)17(2)3h7121517H461314H213H3(H273032)b2216+
MFCD07209465
ZINC000013811621
ZINC13811621
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