Vitas-M small molecule compound
propan-2-yl (2E)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL508408
SMILES CCOc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)N1CCCCC1)/s2)C(=O)OC(C)C
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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 C29H33N3O5S MW 535.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O5S/c1-5-35-21-11-9-20(10-12-21)26-25(28(34)36-18(2)3)19(4)30-29-32(26)27(33)23(38-29)17-22-13-14-24(37-22)31-15-7-6-8-16-31/h9-14,17-18,26H,5-8,15-16H2,1-4H3/b23-17+InChIKey
JLKYQJSYUGKTQP-HAVVHWLPSA-NSynonyms
21168691
InChI=1SC29H33N3O5Sc15352111920(101221)2625(28(34)3618(2)3)19(4)302932(26)27(33)23(3829)1722131424(3722)31157681631h914171826H581516H214H3b2317+
MFCD05149816
propan2yl(2~(E))5(4ethoxyphenyl)7methyl3oxo2((5piperidin1ylfuran2yl)methylidene)5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2E)5(4ethoxyphenyl)7methyl3oxo2((5(piperidin1yl)furan2yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000104944889
ZINC000104944893
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