Vitas-M small molecule compound
methyl (2E)-2-[(1-ethyl-1H-pyrazol-3-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL403851
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccn(n1)CC)/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/c1-4-24-11-10-15(23-24)12-16-19(26)25-18(14-8-6-5-7-9-14)17(20(27)28-3)13(2)22-21(25)29-16/h5-12,18H,4H2,1-3H3/b16-12+InChIKey
AAWJDNHGMOMMTL-FOWTUZBSSA-NSynonyms
1005643-17-31005643173
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(=Cc1ccn(n1)CC)s2
InChI=1SC21H20N4O3Sc1424111015(2324)121619(26)2518(148657914)17(20(27)283)13(2)2221(25)2916h51218H4H213H3b1612+
methyl(2E)2((1ethyl1Hpyrazol3yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)2((1ETHYLPYRAZOL3YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD04045942
ZINC000002787281
ZINC000002787283
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