Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-ethoxyphenyl]-2-benzylidene-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK533831
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)/c(=C\c1ccccc1)/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 C27H26N2O6S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6S/c1-5-33-21-15-19(12-13-20(21)35-17(4)30)24-23(26(32)34-6-2)16(3)28-27-29(24)25(31)22(36-27)14-18-10-8-7-9-11-18/h7-15,24H,5-6H2,1-4H3/b22-14+InChIKey
QCMKIZDAQKVOEB-HYARGMPZSA-NSynonyms
373370-84-4(E)ethyl5(4acetoxy3ethoxyphenyl)2benzylidene7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
373370844
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)c(=Cc1ccccc1)s2
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=CC=C4)S3)C)C(=O)OCC)OC(=O)C
ethyl(2E)5(4(acetyloxy)3ethoxyphenyl)2benzylidene7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3ethoxyphenyl)2benzylidene7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H26N2O6Sc1533211519(121320(21)3517(4)30)2423(26(32)3462)16(3)282729(24)25(31)22(3627)1418108791118h71524H56H214H3b2214+
MFCD01945954
ZINC000009334141
ZINC000009334143
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