Vitas-M small molecule compound
methyl (2E)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794471
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)(C)C)c(=O)/c(=C\C=C\c1ccccc1)/s2
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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 C28H28N2O3S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O3S/c1-18-23(26(32)33-5)24(20-14-16-21(17-15-20)28(2,3)4)30-25(31)22(34-27(30)29-18)13-9-12-19-10-7-6-8-11-19/h6-17,24H,1-5H3/b12-9+,22-13+InChIKey
WFBDNPCVBFZVBV-OGCVIRRGSA-NSynonyms
469879-44-5(E)methyl5(4(tertbutyl)phenyl)7methyl3oxo2((E)3phenylallylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
469879445
CC1=C(C(N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=N1)C4=CC=C(C=C4)C(C)(C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)(C)C)c(=O)c(=CC=Cc1ccccc1)s2
InChI=1SC28H28N2O3Sc11823(26(32)335)24(20141621(171520)28(23)4)3025(31)22(3427(30)2918)1391219107681119h61724H15H3b129+2213+
methyl(2E)5(4tertbutylphenyl)7methyl3oxo2((2E)3phenylprop2en1ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)5(4TERTBUTYLPHENYL)7METHYL3OXO2((E)3PHENYLPROP2ENYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL5(4TERTBUTYLPHENYL)7METHYL3OXO2((2E)3PHENYLPROP2EN1YLIDENE)2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
MFCD03088881
ZINC000008915544
ZINC000009272455
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