Vitas-M small molecule compound
methyl (2E)-2-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797900
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(o1)c1cc(Cl)ccc1Cl)/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 C24H16Cl2N2O4S2 MW 531.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16Cl2N2O4S2/c1-12-20(23(30)31-2)21(18-4-3-9-33-18)28-22(29)19(34-24(28)27-12)11-14-6-8-17(32-14)15-10-13(25)5-7-16(15)26/h3-11,21H,1-2H3/b19-11+InChIKey
IAYKMHNSJCSDEN-YBFXNURJSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)SC2=N1)C5=CC=CS5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(o1)c1cc(Cl)ccc1Cl)s2
InChI=1SC24H16Cl2N2O4S2c11220(23(30)312)21(184393318)2822(29)19(3424(28)2712)11146817(3214)151013(25)5716(15)26h31121H12H3b1911+
methyl(2E)2((5(25dichlorophenyl)furan2yl)methylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2((5(25dichlorophenyl)furan2yl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03461806
ZINC000097946141
ZINC000097946142
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