Vitas-M small molecule compound
prop-2-en-1-yl (2E)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK877166
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)N(C)C)/s2
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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 C24H23N3O3S2 MW 465.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O3S2/c1-5-12-30-23(29)20-15(2)25-24-27(21(20)18-7-6-13-31-18)22(28)19(32-24)14-16-8-10-17(11-9-16)26(3)4/h5-11,13-14,21H,1,12H2,2-4H3/b19-14+InChIKey
RKLXORJKURWZAL-XMHGGMMESA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)N(C)C)s2
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)N(C)C)SC2=N1)C4=CC=CS4)C(=O)OCC=C
InChI=1SC24H23N3O3S2c15123023(29)2015(2)252427(21(20)1876133118)22(28)19(3224)141681017(11916)26(3)4h511131421H112H224H3b1914+
MFCD03088930
prop2en1yl(2E)2(4(dimethylamino)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2E)2((4(dimethylamino)phenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000016711610
ZINC000016711613
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