Vitas-M small molecule compound
propan-2-yl (2E)-2-(4-ethoxy-3-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798406
SMILES CCOc1ccc(cc1OC)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)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 C28H30N2O6S MW 522.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O6S/c1-7-35-21-13-8-18(14-22(21)34-6)15-23-26(31)30-25(19-9-11-20(33-5)12-10-19)24(27(32)36-16(2)3)17(4)29-28(30)37-23/h8-16,25H,7H2,1-6H3/b23-15+InChIKey
IGIXNSPVNWBWGQ-HZHRSRAPSA-NSynonyms
CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=C(C=C4)OC)OC
CCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C
InChI=1SC28H30N2O6Sc17352113818(1422(21)346)152326(31)3025(1991120(335)121019)24(27(32)3616(2)3)17(4)2928(30)3723h81625H7H216H3b2315+
MFCD03417671
PROPAN2YL(2E)2((4ETHOXY3METHOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2E)2(4ethoxy3methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000016700295
ZINC000016700297
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