Vitas-M small molecule compound
methyl (2E)-7-methyl-3-oxo-2-[(2Z)-3-phenylprop-2-en-1-ylidene]-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL506383
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)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 C27H26N2O3S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S/c1-17(2)20-13-15-21(16-14-20)24-23(26(31)32-4)18(3)28-27-29(24)25(30)22(33-27)12-8-11-19-9-6-5-7-10-19/h5-17,24H,1-4H3/b11-8-,22-12+InChIKey
RSJREVCIPSSNDG-JVLVAAQDSA-NSynonyms
23095219
InChI=1SC27H26N2O3Sc117(2)20131521(161420)2423(26(31)324)18(3)282729(24)25(30)22(3327)128111996571019h51724H14H3b1182212+
methyl(2~(E))7methyl3oxo2((~(Z))3phenylprop2enylidene)5(4propan2ylphenyl)5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)7methyl3oxo2((2Z)3phenylprop2en1ylidene)5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04085765
ZINC000016607008
ZINC000016607011
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