Vitas-M small molecule compound
methyl (2Z)-2-(2-chloro-6-fluorobenzylidene)-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL403352
SMILES COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)/c(=C/c1c(F)cccc1Cl)/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 C21H18ClFN4O3S MW 460.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN4O3S/c1-10-17(20(29)30-4)18(13-9-24-26(3)11(13)2)27-19(28)16(31-21(27)25-10)8-12-14(22)6-5-7-15(12)23/h5-9,18H,1-4H3/b16-8-InChIKey
IGQJKIPELXTMAV-PXNMLYILSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)F)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(=Cc1c(F)cccc1Cl)s2
InChI=1SC21H18ClFN4O3Sc11017(20(29)304)18(1392426(3)11(13)2)2719(28)16(3121(27)2510)81214(22)65715(12)23h5918H14H3b168
methyl(2Z)2((2chloro6fluorophenyl)methylidene)5(15dimethylpyrazol4yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)2(2chloro6fluorobenzylidene)5(15dimethyl1Hpyrazol4yl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD28952633
ZINC000002787170
ZINC000002787172
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