Vitas-M small molecule compound
methyl (2E)-5-(1,5-dimethyl-1H-pyrazol-4-yl)-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL400575
SMILES COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)/c(=C\c1cocc1)/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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-10-15(18(25)26-4)16(13-8-20-22(3)11(13)2)23-17(24)14(28-19(23)21-10)7-12-5-6-27-9-12/h5-9,16H,1-4H3/b14-7+InChIKey
AFCTVNRHVDNEFN-VGOFMYFVSA-NSynonyms
1005623-29-91005623299
CC1=C(C(N2C(=O)C(=CC3=COC=C3)SC2=N1)C4=C(N(N=C4)C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)c(=Cc1cocc1)s2
InChI=1SC19H18N4O4Sc11015(18(25)264)16(1382022(3)11(13)2)2317(24)14(2819(23)2110)7125627912h5916H14H3b147+
methyl(2E)5(15dimethyl1Hpyrazol4yl)2(furan3ylmethylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(15dimethylpyrazol4yl)2(furan3ylmethylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04050225
ZINC000006527547
ZINC000006527554
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