Vitas-M small molecule compound
ethyl (2Z)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2-(pyridin-3-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL405936
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1cccnc1)/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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-5-31-24(30)21-16(4)27-25-28(22(21)19-10-8-18(9-11-19)15(2)3)23(29)20(32-25)13-17-7-6-12-26-14-17/h6-15,22H,5H2,1-4H3/b20-13-InChIKey
HDSIZWPGXITAPM-MOSHPQCFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1cccnc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(C)C)C(=O)C(=CC4=CN=CC=C4)S2)C
ethyl(2Z)7methyl3oxo5(4(propan2yl)phenyl)2(pyridin3ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)7methyl3oxo5(4propan2ylphenyl)2(pyridin3ylmethylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H25N3O3Sc153124(30)2116(4)272528(22(21)1910818(91119)15(2)3)23(29)20(3225)13177612261417h61522H5H214H3b2013
MFCD02313048
ZINC000033618993
ZINC000033618995
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