Vitas-M small molecule compound
ethyl (2E)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK876946
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1c(F)cccc1Cl)/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 C21H16ClFN2O3S2 MW 462.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFN2O3S2/c1-3-28-20(27)17-11(2)24-21-25(18(17)15-8-5-9-29-15)19(26)16(30-21)10-12-13(22)6-4-7-14(12)23/h4-10,18H,3H2,1-2H3/b16-10+InChIKey
FEHDOKQFTYYKFI-MHWRWJLKSA-NSynonyms
(Z)ethyl2(2chloro6fluorobenzylidene)7methyl3oxo5(thiophen2yl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(F)cccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=C(C=CC=C4Cl)F)S2)C
ethyl(2E)2((2chloro6fluorophenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(2chloro6fluorobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2((2CHLORO6FLUOROPHENYL)METHYLIDENE)7METHYL3OXO5(THIOPHEN2YL)2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
ETHYL2((6CHLORO2FLUOROPHENYL)METHYLENE)7METHYL3OXO5(2THIENYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC21H16ClFN2O3S2c132820(27)1711(2)242125(18(17)158592915)19(26)16(3021)101213(22)64714(12)23h41018H3H212H3b1610+
MFCD02667274
ZINC000008915388
ZINC000008915390
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