Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(2-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798103
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1ccccc1F)/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 C25H21FN2O6S MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O6S/c1-13-21(24(31)33-4)22(16-9-10-18(34-14(2)29)19(11-16)32-3)28-23(30)20(35-25(28)27-13)12-15-7-5-6-8-17(15)26/h5-12,22H,1-4H3/b20-12+InChIKey
YPSOGOKMPMVHRP-UDWIEESQSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3F)SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccccc1F)s2
InChI=1SC25H21FN2O6Sc11321(24(31)334)22(1691018(3414(2)29)19(1116)323)2823(30)20(3525(28)2713)1215756817(15)26h51222H14H3b2012+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)2(2fluorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4acetyloxy3methoxyphenyl)2((2fluorophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417336
ZINC000016700144
ZINC000016700146
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