Vitas-M small molecule compound
ethyl (2Z)-2-{[3-(4-butoxyphenyl)-1-phenyl-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
STK799096
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC)C)c1ccccc1
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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 C37H36N4O5S MW 648.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H36N4O5S/c1-5-7-21-46-30-19-13-25(14-20-30)33-27(23-40(39-33)28-11-9-8-10-12-28)22-31-35(42)41-34(26-15-17-29(44-4)18-16-26)32(36(43)45-6-2)24(3)38-37(41)47-31/h8-20,22-23,34H,5-7,21H2,1-4H3/b31-22-InChIKey
GEZSWSNLQLGGNL-VAMRJTSQSA-NSynonyms
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)OC)C6=CC=CC=C6
CCCCOc1ccc(cc1)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC)C)c1ccccc1
ethyl(2Z)2((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC37H36N4O5Sc157214630191325(142030)3327(2340(3933)281198101228)223135(42)4134(26151729(444)181626)32(36(43)4562)24(3)3837(41)4731h820222334H5721H214H3b3122
MFCD03462266
ZINC000097957661
ZINC000097957662
Check stock
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Check stock on Vitas-MAvailable files
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