Vitas-M small molecule compound
3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(1-hydroxybutan-2-yl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL336033
SMILES CCCCN1C(=S)S/C(=C\c2c(NC(CO)CC)nc3n(c2=O)cccc3C)/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 C21H26N4O3S2 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S2/c1-4-6-9-25-20(28)16(30-21(25)29)11-15-17(22-14(5-2)12-26)23-18-13(3)8-7-10-24(18)19(15)27/h7-8,10-11,14,22,26H,4-6,9,12H2,1-3H3/b16-11-InChIKey
QNQCBEJLKDQLDL-WJDWOHSUSA-NSynonyms
615272-24-7(5Z)3BUTYL5((2(1HYDROXYBUTAN2YLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3butyl5((2((1hydroxybutan2yl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((1hydroxybutan2yl)amino)9methyl4Hpyrido(12a)pyrimidin4one
3BUTYL5((2((1ETHYL2HYDROXYETHYL)AMINO)9METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
615272247
CCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NC(CC)CO)SC1=S
CCCCN1C(=S)SC(=Cc2c(NC(CO)CC)nc3n(c2=O)cccc3C)C1=O
InChI=1SC21H26N4O3S2c14692520(28)16(3021(25)29)111517(2214(52)1226)231813(3)871024(18)19(15)27h781011142226H46912H213H3b1611
MFCD03662657
ZINC000002363413
ZINC000008857879
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.