Vitas-M small molecule compound
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799126
SMILES CCCOc1ccc(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 C36H34N4O5S MW 634.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34N4O5S/c1-5-20-45-29-18-12-24(13-19-29)32-26(22-39(38-32)27-10-8-7-9-11-27)21-30-34(41)40-33(25-14-16-28(43-4)17-15-25)31(35(42)44-6-2)23(3)37-36(40)46-30/h7-19,21-22,33H,5-6,20H2,1-4H3/b30-21-InChIKey
WBKADGMBJFVCRQ-OFWBYEQRSA-NSynonyms
CCCOC1=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
CCCOc1ccc(cc1)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC)C)c1ccccc1
ethyl(2Z)5(4methoxyphenyl)7methyl3oxo2((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4METHOXYPHENYL)7METHYL3OXO2((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC36H34N4O5Sc15204529181224(131929)3226(2239(3832)27108791127)213034(41)4033(25141628(434)171525)31(35(42)4462)23(3)3736(40)4630h719212233H5620H214H3b3021
MFCD03462296
ZINC000097946265
ZINC000097946266
Check stock
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Check stock on Vitas-MAvailable files
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