Vitas-M small molecule compound
ethyl (2Z)-5-(4-ethoxyphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL495659
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1cccc3c1cccc3)/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 C29H26N2O4S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O4S/c1-4-34-22-15-13-20(14-16-22)26-25(28(33)35-5-2)18(3)30-29-31(26)27(32)24(36-29)17-21-11-8-10-19-9-6-7-12-23(19)21/h6-17,26H,4-5H2,1-3H3/b24-17-InChIKey
JJSQWJIFZXBIML-ULJHMMPZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1cccc3c1cccc3)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=CC5=CC=CC=C54)S3)C)C(=O)OCC
ethyl(2Z)5(4ethoxyphenyl)7methyl2(naphthalen1ylmethylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(4ethoxyphenyl)7methyl2(naphthalen1ylmethylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H26N2O4Sc143422151320(141622)2625(28(33)3552)18(3)302931(26)27(32)24(3629)172111810199671223(19)21h61726H45H213H3b2417
MFCD05040355
ZINC000015018589
ZINC000015018590
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