Vitas-M small molecule compound

ethyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK726672
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-4-35-28(34)25-17(2)30-29-31(26(25)20-12-14-22(15-13-20)36-18(3)32)27(33)24(37-29)16-21-10-7-9-19-8-5-6-11-23(19)21/h5-16,26H,4H2,1-3H3/b24-16-
InChIKey
BPBNDMSJTAUIAH-JLPGSUDCSA-N
Synonyms
324568-23-2
(Z)ethyl5(4acetoxyphenyl)7methyl2(naphthalen1ylmethylene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324568232
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1cccc3c1cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC4=CC=CC5=CC=CC=C54)S2)C
ethyl(2Z)5(4(acetyloxy)phenyl)7methyl2(naphthalen1ylmethylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4ACETYLOXYPHENYL)7METHYL2(NAPHTHALEN1YLMETHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H24N2O5Sc143528(34)2517(2)302931(26(25)20121422(151320)3618(3)32)27(33)24(3729)16211079198561123(19)21h51626H4H213H3b2416
MFCD01794269
ZINC000002059980
ZINC000002059982

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.