Vitas-M small molecule compound
ethyl (2Z)-2-(5-chloro-2-hydroxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL508364
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1cc(Cl)ccc1O)/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 C21H17ClN2O4S2 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O4S2/c1-3-28-20(27)17-11(2)23-21-24(18(17)15-5-4-8-29-15)19(26)16(30-21)10-12-9-13(22)6-7-14(12)25/h4-10,18,25H,3H2,1-2H3/b16-10-InChIKey
YMRTVQVJQDEDTR-YBEGLDIGSA-NSynonyms
5816926
ethyl(2~(Z))2((5chloro2hydroxyphenyl)methylidene)7methyl3oxo5thiophen2yl5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(5chloro2hydroxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC21H17ClN2O4S2c132820(27)1711(2)232124(18(17)155482915)19(26)16(3021)1012913(22)6714(12)25h4101825H3H212H3b1610
MFCD31614420
ZINC000000707525
ZINC000000707527
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