Vitas-M small molecule compound
ethyl (2E)-2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK309245
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-4-25-12-14(11-23-25)10-17-20(28)26-19(15-6-8-16(27)9-7-15)18(21(29)30-5-2)13(3)24-22(26)31-17/h6-12,19,27H,4-5H2,1-3H3/b17-10+InChIKey
MVHPAYKSZPAKCJ-LICLKQGHSA-NSynonyms
1005693-49-11005693491
CCN1C=C(C=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)O
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)c(=Cc1cnn(c1)CC)s2
ethyl(2E)2((1ethyl1Hpyrazol4yl)methylidene)5(4hydroxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((1ETHYLPYRAZOL4YL)METHYLIDENE)5(4HYDROXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H22N4O4Sc14251214(112325)101720(28)2619(156816(27)9715)18(21(29)3052)13(3)2422(26)3117h6121927H45H213H3b1710+
MFCD04052489
ZINC000002800150
ZINC000002800152
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