Vitas-M small molecule compound
ethyl (2E)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL504955
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C\c1cc(n(c1C)C)C)/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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c1-8-33-26(32)23-17(5)28-27-30(24(23)20-11-9-19(10-12-20)15(2)3)25(31)22(34-27)14-21-13-16(4)29(7)18(21)6/h9-15,24H,8H2,1-7H3/b22-14+InChIKey
MGUWYJFCDLXKDA-HYARGMPZSA-NSynonyms
11838846
ethyl(2~(E))7methyl3oxo5(4propan2ylphenyl)2((125trimethylpyrrol3yl)methylidene)5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl3oxo5(4(propan2yl)phenyl)2((125trimethyl1Hpyrrol3yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(4ISOPROPYLPHENYL)7METHYL3OXO2((125TRIMETHYL1HPYRROL3YL)METHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H31N3O3Sc183326(32)2317(5)282730(24(23)2011919(101220)15(2)3)25(31)22(3427)14211316(4)29(7)18(21)6h91524H8H217H3b2214+
MFCD02950792
ZINC000017145817
ZINC000017145819
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