Vitas-M small molecule compound
ethyl (2E)-2-(3-hydroxybenzylidene)-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK027465
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)/c(=C\c1cccc(c1)O)/s2)c1ccccc1
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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 C26H20N2O4S2 MW 488.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O4S2/c1-2-32-25(31)21-22(17-9-4-3-5-10-17)27-26-28(23(21)19-12-7-13-33-19)24(30)20(34-26)15-16-8-6-11-18(29)14-16/h3-15,23,29H,2H2,1H3/b20-15+InChIKey
PQILMIYQAQZTME-HMMYKYKNSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)c(=Cc1cccc(c1)O)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC(=CC=C4)O)S2)C5=CC=CC=C5
ethyl(2E)2((3hydroxyphenyl)methylidene)3oxo7phenyl5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(3HYDROXYBENZYLIDENE)3OXO7PHENYL5(THIOPHEN2YL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H20N2O4S2c123225(31)2122(1794351017)272628(23(21)19127133319)24(30)20(3426)1516861118(29)1416h3152329H2H21H3b2015+
MFCD02195785
STK027465
ZINC000006489316
ZINC000006489324
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