Vitas-M small molecule compound
methyl (2Z)-2-[4-(cyanomethoxy)-3-methoxybenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL172429
SMILES N#CCOc1ccc(cc1OC)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)OC)C
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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 C25H21N3O5S MW 475.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5S/c1-15-21(24(30)32-3)22(17-7-5-4-6-8-17)28-23(29)20(34-25(28)27-15)14-16-9-10-18(33-12-11-26)19(13-16)31-2/h4-10,13-14,22H,12H2,1-3H3/b20-14-InChIKey
DOHRFZHTJLRZQS-ZHZULCJRSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OCC#N)OC)SC2=N1)C4=CC=CC=C4)C(=O)OC
InChI=1SC25H21N3O5Sc11521(24(30)323)22(177546817)2823(29)20(3425(28)2715)141691018(33121126)19(1316)312h410131422H12H213H3b2014
methyl(2Z)2((4(cyanomethoxy)3methoxyphenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)2(4(cyanomethoxy)3methoxybenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04047543
N#CCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)OC)C
ZINC000002773599
ZINC000002773601
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