Vitas-M small molecule compound
ethyl (2Z)-5-[4-(acetyloxy)phenyl]-2-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794305
SMILES CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC(=O)C)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 C36H32N4O6S MW 648.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N4O6S/c1-5-44-28-16-12-24(13-17-28)32-26(21-39(38-32)27-10-8-7-9-11-27)20-30-34(42)40-33(25-14-18-29(19-15-25)46-23(4)41)31(35(43)45-6-2)22(3)37-36(40)47-30/h7-21,33H,5-6H2,1-4H3/b30-20-InChIKey
DTCUTZMUNUPZBE-COEJQBHMSA-NSynonyms
(Z)ethyl5(4acetoxyphenyl)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC1=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(=O)C)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC(=O)C)C(=O)OCC)C)c1ccccc1
ethyl(2Z)5(4(acetyloxy)phenyl)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4ACETYLOXYPHENYL)2((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC36H32N4O6Sc154428161224(131728)3226(2139(3832)27108791127)203034(42)4033(25141829(191525)4623(4)41)31(35(43)4562)22(3)3736(40)4730h72133H56H214H3b3020
MFCD01942349
ZINC000097947551
ZINC000097947552
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