Vitas-M small molecule compound
ethyl (2E)-2-(3-chloro-4-hydroxy-5-methoxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK011398
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cc(Cl)c(c(c1)OC)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 C24H21ClN2O5S MW 484.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O5S/c1-4-32-23(30)19-13(2)26-24-27(20(19)15-8-6-5-7-9-15)22(29)18(33-24)12-14-10-16(25)21(28)17(11-14)31-3/h5-12,20,28H,4H2,1-3H3/b18-12+InChIKey
IIFMJGKUWDHNOP-LDADJPATSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(Cl)c(c(c1)OC)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C(=C4)Cl)O)OC)S2)C
ethyl(2E)2((3chloro4hydroxy5methoxyphenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(3CHLORO4HYDROXY5METHOXYBENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC24H21ClN2O5Sc143223(30)1913(2)262427(20(19)158657915)22(29)18(3324)12141016(25)21(28)17(1114)313h5122028H4H213H3b1812+
MFCD02380032
STK011398
ZINC000012350157
ZINC000012350166
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