Vitas-M small molecule compound
methyl (2E)-2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK309335
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)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/c1-5-25-12-14(11-23-25)10-17-20(27)26-19(15-6-8-16(29-3)9-7-15)18(21(28)30-4)13(2)24-22(26)31-17/h6-12,19H,5H2,1-4H3/b17-10+InChIKey
BAUIRGLVKZRUMP-LICLKQGHSA-NSynonyms
1005611-98-21005611982
CCN1C=C(C=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=C(C=C4)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cnn(c1)CC)s2
InChI=1SC22H22N4O4Sc15251214(112325)101720(27)2619(156816(293)9715)18(21(28)304)13(2)2422(26)3117h61219H5H214H3b1710+
methyl(2E)2((1ethyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)2((1ETHYLPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD04052481
ZINC000013959985
ZINC000013959986
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