Vitas-M small molecule compound
methyl (2E)-2-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL399866
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccnn1CC)/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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-4-24-15(10-11-22-24)12-16-19(26)25-18(14-8-6-5-7-9-14)17(20(27)28-3)13(2)23-21(25)29-16/h5-12,18H,4H2,1-3H3/b16-12+InChIKey
MPSXIHGQRMRQFW-FOWTUZBSSA-NSynonyms
1005621-53-31005621533
CCN1C(=CC=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=CC=C4
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccnn1CC)s2
InChI=1SC21H20N4O3Sc142415(10112224)121619(26)2518(148657914)17(20(27)283)13(2)2321(25)2916h51218H4H213H3b1612+
METHYL(2E)2((1ETHYL1HPYRAZOL5YL)METHYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL(2E)2((2ETHYLPYRAZOL3YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD04046378
ZINC000002788501
ZINC000002788503
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