Vitas-M small molecule compound
ethyl (2E)-7-methyl-5-[4-(methylsulfanyl)phenyl]-2-(2-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK815384
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C\c1ccccc1[N+](=O)[O-])/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 C24H21N3O5S2 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5S2/c1-4-32-23(29)20-14(2)25-24-26(21(20)15-9-11-17(33-3)12-10-15)22(28)19(34-24)13-16-7-5-6-8-18(16)27(30)31/h5-13,21H,4H2,1-3H3/b19-13+InChIKey
SLVMWNQJQJUPCG-CPNJWEJPSA-NSynonyms
612077-27-7612077277
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1ccccc1(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CC=CC=C4(N+)(=O)(O))S2)C
ethyl(2E)7methyl5(4(methylsulfanyl)phenyl)2(2nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl5(4methylsulfanylphenyl)2((2nitrophenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC24H21N3O5S2c143223(29)2014(2)252426(21(20)1591117(333)121015)22(28)19(3424)1316756818(16)27(30)31h51321H4H213H3b1913+
MFCD04442640
ZINC000016711759
ZINC000016711761
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