Vitas-M small molecule compound
ethyl (2Z)-2-(3-ethoxy-4-hydroxy-5-iodobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522618
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1cc(I)c(c(c1)OCC)O)/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 C25H23IN2O5S MW 590.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23IN2O5S/c1-4-32-18-12-15(11-17(26)22(18)29)13-19-23(30)28-21(16-9-7-6-8-10-16)20(24(31)33-5-2)14(3)27-25(28)34-19/h6-13,21,29H,4-5H2,1-3H3/b19-13-InChIKey
CMQCYPWLAYCXQM-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(I)c(c(c1)OCC)O)s2
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC=C4)I)O
ETHYL(2Z)2((3ETHOXY4HYDROXY5IODOPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3ethoxy4hydroxy5iodobenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H23IN2O5Sc1432181215(1117(26)22(18)29)131923(30)2821(1697681016)20(24(31)3352)14(3)2725(28)3419h6132129H45H213H3b1913
MFCD01593306
ZINC000100618240
ZINC000100618241
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