Vitas-M small molecule compound

ethyl (2E)-2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK309514
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cnn(c1)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-4-25-13-15(12-23-25)11-17-20(27)26-19(16-9-7-6-8-10-16)18(21(28)29-5-2)14(3)24-22(26)30-17/h6-13,19H,4-5H2,1-3H3/b17-11+
InChIKey
BCLUMDNSRCXGGK-GZTJUZNOSA-N
Synonyms
1005561-24-9
1005561249
CCN1C=C(C=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC=C4
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cnn(c1)CC)s2
ethyl(2E)2((1ethyl1Hpyrazol4yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((1ETHYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H22N4O3Sc14251315(122325)111720(27)2619(1697681016)18(21(28)2952)14(3)2422(26)3017h61319H45H213H3b1711+
MFCD04052478
ZINC000002802104
ZINC000002802106

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Available files

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