Vitas-M small molecule compound
methyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(3-phenoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794291
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1cccc(c1)Oc1ccccc1)/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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-18-25(28(33)35-3)26(20-12-14-21(34-2)15-13-20)31-27(32)24(37-29(31)30-18)17-19-8-7-11-23(16-19)36-22-9-5-4-6-10-22/h4-17,26H,1-3H3/b24-17+InChIKey
LIAYIRORYNDJIM-JJIBRWJFSA-NSynonyms
372500-06-6(E)methyl5(4methoxyphenyl)7methyl3oxo2(3phenoxybenzylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
372500066
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cccc(c1)Oc1ccccc1)s2
InChI=1SC29H24N2O5Sc11825(28(33)353)26(20121421(342)151320)3127(32)24(3729(31)3018)1719871123(1619)362295461022h41726H13H3b2417+
methyl(2E)5(4methoxyphenyl)7methyl3oxo2((3phenoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4methoxyphenyl)7methyl3oxo2(3phenoxybenzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01943461
ZINC000008920002
ZINC000008920007
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