Vitas-M small molecule compound
methyl (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
STK798807
SMILES C=CCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC)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 C26H24N2O5S MW 476.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5S/c1-5-14-33-20-10-6-17(7-11-20)15-21-24(29)28-23(18-8-12-19(31-3)13-9-18)22(25(30)32-4)16(2)27-26(28)34-21/h5-13,15,23H,1,14H2,2-4H3/b21-15+InChIKey
QSKPVIGFWZGLHR-RCCKNPSSSA-NSynonyms
C=CCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC)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
InChI=1SC26H24N2O5Sc1514332010617(71120)152124(29)2823(1881219(313)13918)22(25(30)324)16(2)2726(28)3421h5131523H114H224H3b2115+
methyl(2E)5(4methoxyphenyl)7methyl3oxo2((4prop2enoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4methoxyphenyl)7methyl3oxo2(4(prop2en1yloxy)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417827
ZINC000016700474
ZINC000016700475
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