Vitas-M small molecule compound
ethyl (2Z)-5-(4-ethoxyphenyl)-2-(4-hydroxy-3-iodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK076595
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1ccc(c(c1)I)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/c1-4-32-17-9-7-16(8-10-17)22-21(24(31)33-5-2)14(3)27-25-28(22)23(30)20(34-25)13-15-6-11-19(29)18(26)12-15/h6-13,22,29H,4-5H2,1-3H3/b20-13-InChIKey
RYLRNKIDVVTOMW-MOSHPQCFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1ccc(c(c1)I)O)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=C(C=C4)O)I)S3)C)C(=O)OCC
ETHYL(2Z)5(4ETHOXYPHENYL)2((4HYDROXY3IODOPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(4ETHOXYPHENYL)2(4HYDROXY3IODOBENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H23IN2O5Sc1432179716(81017)2221(24(31)3352)14(3)272528(22)23(30)20(3425)131561119(29)18(26)1215h6132229H45H213H3b2013
MFCD05040350
STK076595
ZINC000002164076
ZINC000002164082
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