Vitas-M small molecule compound
prop-2-en-1-yl (2E)-2-[2-(acetyloxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797161
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccccc1OC(=O)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 C24H20N2O5S2 MW 480.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O5S2/c1-4-11-30-23(29)20-14(2)25-24-26(21(20)18-10-7-12-32-18)22(28)19(33-24)13-16-8-5-6-9-17(16)31-15(3)27/h4-10,12-13,21H,1,11H2,2-3H3/b19-13+InChIKey
RQZIZFRAKILAPL-CPNJWEJPSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccccc1OC(=O)C)s2
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3OC(=O)C)SC2=N1)C4=CC=CS4)C(=O)OCC=C
InChI=1SC24H20N2O5S2c14113023(29)2014(2)252426(21(20)18107123218)22(28)19(3324)1316856917(16)3115(3)27h410121321H111H223H3b1913+
MFCD03225876
prop2en1yl(2E)2(2(acetyloxy)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2E)2((2acetyloxyphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000016699767
ZINC000016699770
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