Vitas-M small molecule compound
propan-2-yl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[4-(prop-2-en-1-yloxy)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798405
SMILES C=CCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C
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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 C28H28N2O5S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5S/c1-6-15-34-22-11-7-19(8-12-22)16-23-26(31)30-25(20-9-13-21(33-5)14-10-20)24(27(32)35-17(2)3)18(4)29-28(30)36-23/h6-14,16-17,25H,1,15H2,2-5H3/b23-16+InChIKey
NGWYZKOLBFCFID-XQNSMLJCSA-NSynonyms
C=CCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OCC=C)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC(C)C
InChI=1SC28H28N2O5Sc1615342211719(81222)162326(31)3025(2091321(335)141020)24(27(32)3517(2)3)18(4)2928(30)3623h614161725H115H225H3b2316+
MFCD03417670
propan2yl(2E)5(4methoxyphenyl)7methyl3oxo2((4prop2enoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2E)5(4methoxyphenyl)7methyl3oxo2(4(prop2en1yloxy)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000016700291
ZINC000016700293
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